1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]ethanone Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]ethanone CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-2-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]ethanone Traditional Name: 1-(3,5-dimethylpiperidino)-2-[4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazino]ethanone Formula: C23H35N5O5S MolecularWeight: 493.6195

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C23H35N5O5S/c1-18-13-19(2)16-26(15-18)23(29)17-24-9-11-25(12-10-24)21-6-5-20(14-22(21)28(30)31)34(32,33)27-7-3-4-8-27/h5-6,14,18-19H,3-4,7-13,15-17H2,1-2H3