3-methyl-1-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazino]butan-1-one Formula: C21H32N4O5S MolecularWeight: 452.56758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O5S/c1-16(2)14-21(26)23-12-10-22(11-13-23)19-5-4-18(15-20(19)25(27)28)31(29,30)24-8-6-17(3)7-9-24/h4-5,15-17H,6-14H2,1-3H3