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

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-4-(3-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[3-(cyclopropanecarbonylamino)benzyl]-4-(3-nitrophenyl)sulfonyl-piperazine-1-carboxamide Formula: C22H25N5O6S MolecularWeight: 487.5288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O6S/c28-21(17-7-8-17)24-18-4-1-3-16(13-18)15-23-22(29)25-9-11-26(12-10-25)34(32,33)20-6-2-5-19(14-20)27(30)31/h1-6,13-14,17H,7-12,15H2,(H,23,29)(H,24,28)