2-[3-(cyclopropylmethyl)-4-(2-nitrophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-3-naphthalen-2-yl-propanoic acid

Systemtic Name: 2-[3-(cyclopropylmethyl)-4-(2-nitrophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-3-naphthalen-2-yl-propanoic acid Openeye Name: 2-[3-(cyclopropylmethyl)-4-(2-nitrophenyl)sulfonyl-2-oxo-piperazin-1-yl]-3-(2-naphthyl)propanoic acid CAS Name: 2-[3-(cyclopropylmethyl)-4-(2-nitrophenyl)sulfonyl-2-oxo-1-piperazinyl]-3-(2-naphthalenyl)propanoic acid IUPAC Name: 2-[3-(cyclopropylmethyl)-4-(2-nitrophenyl)sulfonyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoic acid Traditional Name: 2-[3-(cyclopropylmethyl)-2-keto-4-(2-nitrophenyl)sulfonyl-piperazino]-3-(2-naphthyl)propionic acid Formula: C27H27N3O7S MolecularWeight: 537.58418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC2C(=O)N(CCN2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(CC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CC1CC2C(=O)N(CCN2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(CC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C27H27N3O7S/c31-26-23(16-18-9-10-18)29(38(36,37)25-8-4-3-7-22(25)30(34)35)14-13-28(26)24(27(32)33)17-19-11-12-20-5-1-2-6-21(20)15-19/h1-8,11-12,15,18,23-24H,9-10,13-14,16-17H2,(H,32,33)