N-[3-oxidanylidene-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propyl]naphthalene-2-sulfonamide

Systemtic Name: N-[3-oxidanylidene-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propyl]naphthalene-2-sulfonamide Openeye Name: N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propyl]naphthalene-2-sulfonamide CAS Name: N-[3-oxo-3-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]propyl]-2-naphthalenesulfonamide IUPAC Name: N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propyl]naphthalene-2-sulfonamide Traditional Name: N-[3-keto-3-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propyl]naphthalene-2-sulfonamide Formula: C25H30N3O4S+ MolecularWeight: 468.5884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H29N3O4S/c29-25(28-16-14-27(15-17-28)18-19-32-23-8-2-1-3-9-23)12-13-26-33(30,31)24-11-10-21-6-4-5-7-22(21)20-24/h1-11,20,26H,12-19H2/p+1