4-[(2-ethoxy-2-oxidanylidene-ethyl)-(phenylmethyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2-ethoxy-2-oxidanylidene-ethyl)-(phenylmethyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoate Openeye Name: 4-[benzyl-(2-ethoxy-2-oxo-ethyl)amino]-3-(2-naphthylsulfonylamino)-4-oxo-butanoate CAS Name: 4-[(2-ethoxy-2-oxoethyl)-(phenylmethyl)amino]-3-(2-naphthalenylsulfonylamino)-4-oxobutanoate IUPAC Name: 4-[benzyl-(2-ethoxy-2-oxoethyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoate Traditional Name: 4-[benzyl-(2-ethoxy-2-keto-ethyl)amino]-4-keto-3-(2-naphthylsulfonylamino)butyrate Formula: C25H25N2O7S- MolecularWeight: 497.5402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC=CC=C1)C(=O)C(CC(=O)[O-])NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)CN(CC1=CC=CC=C1)C(=O)C(CC(=O)[O-])NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H26N2O7S/c1-2-34-24(30)17-27(16-18-8-4-3-5-9-18)25(31)22(15-23(28)29)26-35(32,33)21-13-12-19-10-6-7-11-20(19)14-21/h3-14,22,26H,2,15-17H2,1H3,(H,28,29)/p-1