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

Systemtic Name: N-[cyclopropyl(phenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[cyclopropyl(phenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[cyclopropyl(phenyl)methyl]-4-(3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[cyclopropyl(phenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[cyclopropyl(phenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C2=CC=CC=C2)NC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(C2=CC=CC=C2)NC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c26-21(22-20(17-9-10-17)16-5-2-1-3-6-16)23-11-13-24(14-12-23)31(29,30)19-8-4-7-18(15-19)25(27)28/h1-8,15,17,20H,9-14H2,(H,22,26)