2-methoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-5-nitro-benzenesulfonamide Openeye Name: 2-methoxy-N-[1-methyl-3-[4-(m-tolyl)piperazin-1-yl]propyl]-5-nitro-benzenesulfonamide CAS Name: 2-methoxy-N-[4-[4-(3-methylphenyl)-1-piperazinyl]butan-2-yl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methoxy-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-5-nitrobenzenesulfonamide Traditional Name: 2-methoxy-N-[1-methyl-3-[4-(m-tolyl)piperazino]propyl]-5-nitro-benzenesulfonamide Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCC(C)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCC(C)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H30N4O5S/c1-17-5-4-6-19(15-17)25-13-11-24(12-14-25)10-9-18(2)23-32(29,30)22-16-20(26(27)28)7-8-21(22)31-3/h4-8,15-16,18,23H,9-14H2,1-3H3