2-[bis(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]-5-naphthalen-2-ylsulfonyl-pentanoic acid

Systemtic Name: 2-[bis(2-ethoxy-2-oxidanylidene-ethyl)carbamoyl]-5-naphthalen-2-ylsulfonyl-pentanoic acid Openeye Name: 2-[bis(2-ethoxy-2-oxo-ethyl)carbamoyl]-5-(2-naphthylsulfonyl)pentanoic acid CAS Name: 2-[[bis(2-ethoxy-2-oxoethyl)amino]-oxomethyl]-5-(2-naphthalenylsulfonyl)pentanoic acid IUPAC Name: 2-[bis(2-ethoxy-2-oxoethyl)carbamoyl]-5-naphthalen-2-ylsulfonylpentanoic acid Traditional Name: 2-[bis(2-ethoxy-2-keto-ethyl)carbamoyl]-5-(2-naphthylsulfonyl)valeric acid Formula: C24H29NO9S MolecularWeight: 507.55336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC(=O)OCC)C(=O)C(CCCS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)O

Isomeric SMILES

CCOC(=O)CN(CC(=O)OCC)C(=O)C(CCCS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)O

InChI

InChI=1S/C24H29NO9S/c1-3-33-21(26)15-25(16-22(27)34-4-2)23(28)20(24(29)30)10-7-13-35(31,32)19-12-11-17-8-5-6-9-18(17)14-19/h5-6,8-9,11-12,14,20H,3-4,7,10,13,15-16H2,1-2H3,(H,29,30)