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

Systemtic Name: methyl (2S)-2-[(3S)-3-methyl-4-(2-nitrophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-3-naphthalen-2-yl-propanoate Openeye Name: methyl (2S)-2-[(3S)-3-methyl-4-(2-nitrophenyl)sulfonyl-2-oxo-piperazin-1-yl]-3-(2-naphthyl)propanoate CAS Name: (2S)-2-[(3S)-3-methyl-4-(2-nitrophenyl)sulfonyl-2-oxo-1-piperazinyl]-3-(2-naphthalenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3S)-3-methyl-4-(2-nitrophenyl)sulfonyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate Traditional Name: (2S)-2-[(3S)-2-keto-3-methyl-4-(2-nitrophenyl)sulfonyl-piperazino]-3-(2-naphthyl)propionic acid methyl ester Formula: C25H25N3O7S MolecularWeight: 511.5469

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(CC3=CC4=CC=CC=C4C=C3)C(=O)OC

Isomeric SMILES

C[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/C25H25N3O7S/c1-17-24(29)26(13-14-27(17)36(33,34)23-10-6-5-9-21(23)28(31)32)22(25(30)35-2)16-18-11-12-19-7-3-4-8-20(19)15-18/h3-12,15,17,22H,13-14,16H2,1-2H3/t17-,22-/m0/s1