[3-azanyl-2-[methyl-[2-[2-(naphthalen-1-ylsulfonylamino)ethoxy]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]-bis(carboxymethyl)-[2-(carboxymethylamino)ethyl]azanium

Systemtic Name: [3-azanyl-2-[methyl-[2-[2-(naphthalen-1-ylsulfonylamino)ethoxy]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]-bis(carboxymethyl)-[2-(carboxymethylamino)ethyl]azanium Openeye Name: [3-amino-2-[methyl-[2-[2-(1-naphthylsulfonylamino)ethoxy]-2-oxo-ethyl]amino]-3-oxo-propyl]-bis(carboxymethyl)-[2-(carboxymethylamino)ethyl]ammonium CAS Name: [3-amino-2-[methyl-[2-[2-(1-naphthalenylsulfonylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl]-bis(carboxymethyl)-[2-(carboxymethylamino)ethyl]ammonium IUPAC Name: [3-amino-2-[methyl-[2-[2-(naphthalen-1-ylsulfonylamino)ethoxy]-2-oxoethyl]amino]-3-oxopropyl]-bis(carboxymethyl)-[2-(carboxymethylamino)ethyl]azanium Traditional Name: [3-amino-3-keto-2-[[2-keto-2-[2-(1-naphthylsulfonylamino)ethoxy]ethyl]-methyl-amino]propyl]-bis(carboxymethyl)-[2-(carboxymethylamino)ethyl]ammonium Formula: C26H36N5O11S+ MolecularWeight: 626.65594

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCCNS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(C[N+](CCNCC(=O)O)(CC(=O)O)CC(=O)O)C(=O)N

Isomeric SMILES

CN(CC(=O)OCCNS(=O)(=O)C1=CC=CC2=CC=CC=C21)C(C[N+](CCNCC(=O)O)(CC(=O)O)CC(=O)O)C(=O)N

InChI

InChI=1S/C26H35N5O11S/c1-30(20(26(27)39)15-31(16-23(34)35,17-24(36)37)11-9-28-13-22(32)33)14-25(38)42-12-10-29-43(40,41)21-8-4-6-18-5-2-3-7-19(18)21/h2-8,20,28-29H,9-17H2,1H3,(H4-,27,32,33,34,35,36,37,39)/p+1