[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone

Systemtic Name: [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone Openeye Name: [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone CAS Name: [4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-(cyclopropylamino)-3-nitrophenyl]methanone Traditional Name: [4-(4-chlorophenyl)sulfonylpiperazino]-[4-(cyclopropylamino)-3-nitro-phenyl]methanone Formula: C20H21ClN4O5S MolecularWeight: 464.92254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O5S/c21-15-2-6-17(7-3-15)31(29,30)24-11-9-23(10-12-24)20(26)14-1-8-18(22-16-4-5-16)19(13-14)25(27)28/h1-3,6-8,13,16,22H,4-5,9-12H2