1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 1-(3,5-dimethylpiperidino)-2-[4-(3-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H30N4O5S/c1-15-11-16(2)14-22(13-15)20(25)17(3)21-7-9-23(10-8-21)30(28,29)19-6-4-5-18(12-19)24(26)27/h4-6,12,15-17H,7-11,13-14H2,1-3H3