2-[naphthalen-2-ylsulfonyl-(phenylmethyl)amino]butanedioic acid

Systemtic Name: 2-[naphthalen-2-ylsulfonyl-(phenylmethyl)amino]butanedioic acid Openeye Name: 2-[benzyl(2-naphthylsulfonyl)amino]butanedioic acid CAS Name: 2-[2-naphthalenylsulfonyl-(phenylmethyl)amino]butanedioic acid IUPAC Name: 2-[benzyl(naphthalen-2-ylsulfonyl)amino]butanedioic acid Traditional Name: 2-[benzyl(2-naphthylsulfonyl)amino]succinic acid Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C(CC(=O)O)C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)CN(C(CC(=O)O)C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H19NO6S/c23-20(24)13-19(21(25)26)22(14-15-6-2-1-3-7-15)29(27,28)18-11-10-16-8-4-5-9-17(16)12-18/h1-12,19H,13-14H2,(H,23,24)(H,25,26)