N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[(S)-cyclopropyl(p-tolyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(S)-cyclopropyl-(4-methylphenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[(S)-cyclopropyl(p-tolyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CC2)NC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2CC2)NC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5S/c1-16-5-7-17(8-6-16)21(18-9-10-18)23-22(27)24-11-13-25(14-12-24)32(30,31)20-4-2-3-19(15-20)26(28)29/h2-8,15,18,21H,9-14H2,1H3,(H,23,27)/t21-/m1/s1