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

Systemtic Name: methyl (2S)-3-naphthalen-2-yl-2-[(3S)-4-(2-nitrophenyl)sulfonyl-2-oxidanylidene-3-propyl-piperazin-1-yl]propanoate Openeye Name: methyl (2S)-3-(2-naphthyl)-2-[(3S)-4-(2-nitrophenyl)sulfonyl-2-oxo-3-propyl-piperazin-1-yl]propanoate CAS Name: (2S)-3-(2-naphthalenyl)-2-[(3S)-4-(2-nitrophenyl)sulfonyl-2-oxo-3-propyl-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-naphthalen-2-yl-2-[(3S)-4-(2-nitrophenyl)sulfonyl-2-oxo-3-propylpiperazin-1-yl]propanoate Traditional Name: (2S)-2-[(3S)-2-keto-4-(2-nitrophenyl)sulfonyl-3-propyl-piperazino]-3-(2-naphthyl)propionic acid methyl ester Formula: C27H29N3O7S MolecularWeight: 539.60006

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(CCN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(CC3=CC4=CC=CC=C4C=C3)C(=O)OC

Isomeric SMILES

CCC[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/C27H29N3O7S/c1-3-8-23-26(31)28(15-16-29(23)38(35,36)25-12-7-6-11-22(25)30(33)34)24(27(32)37-2)18-19-13-14-20-9-4-5-10-21(20)17-19/h4-7,9-14,17,23-24H,3,8,15-16,18H2,1-2H3/t23-,24-/m0/s1