methyl (2S)-2-[(3S)-3-ethyl-4-(2-nitrophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-3-naphthalen-2-yl-propanoate

Systemtic Name: methyl (2S)-2-[(3S)-3-ethyl-4-(2-nitrophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-3-naphthalen-2-yl-propanoate Openeye Name: methyl (2S)-2-[(3S)-3-ethyl-4-(2-nitrophenyl)sulfonyl-2-oxo-piperazin-1-yl]-3-(2-naphthyl)propanoate CAS Name: (2S)-2-[(3S)-3-ethyl-4-(2-nitrophenyl)sulfonyl-2-oxo-1-piperazinyl]-3-(2-naphthalenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3S)-3-ethyl-4-(2-nitrophenyl)sulfonyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate Traditional Name: (2S)-2-[(3S)-3-ethyl-2-keto-4-(2-nitrophenyl)sulfonyl-piperazino]-3-(2-naphthyl)propionic acid methyl ester Formula: C26H27N3O7S MolecularWeight: 525.57348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CCN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(CC3=CC4=CC=CC=C4C=C3)C(=O)OC

Isomeric SMILES

CC[C@H]1C(=O)N(CCN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)OC

InChI

InChI=1S/C26H27N3O7S/c1-3-21-25(30)27(14-15-28(21)37(34,35)24-11-7-6-10-22(24)29(32)33)23(26(31)36-2)17-18-12-13-19-8-4-5-9-20(19)16-18/h4-13,16,21,23H,3,14-15,17H2,1-2H3/t21-,23-/m0/s1