[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone Openeye Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-[4-(1-piperidylmethyl)phenyl]methanone CAS Name: [4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-[4-(1-piperidinylmethyl)phenyl]methanone IUPAC Name: [4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone Traditional Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-[4-(piperidinomethyl)phenyl]methanone Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCCCC4

InChI

InChI=1S/C24H30N4O5S/c1-19-5-10-22(28(30)31)17-23(19)34(32,33)27-15-13-26(14-16-27)24(29)21-8-6-20(7-9-21)18-25-11-3-2-4-12-25/h5-10,17H,2-4,11-16,18H2,1H3