N-[cyclopropyl(phenyl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[cyclopropyl(phenyl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[cyclopropyl(phenyl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[cyclopropyl(phenyl)methyl]-4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[cyclopropyl(phenyl)methyl]-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[cyclopropyl(phenyl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine-1-carboxamide Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC(C3CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC(C3CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O6S/c1-32-20-10-9-18(15-19(20)26(28)29)33(30,31)25-13-11-24(12-14-25)22(27)23-21(17-7-8-17)16-5-3-2-4-6-16/h2-6,9-10,15,17,21H,7-8,11-14H2,1H3,(H,23,27)