N-[4-[4-(2-methoxy-5-nitro-phenyl)piperazin-1-yl]butyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-[4-(2-methoxy-5-nitro-phenyl)piperazin-1-yl]butyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[4-(2-methoxy-5-nitro-phenyl)piperazin-1-yl]butyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[4-(2-methoxy-5-nitrophenyl)-1-piperazinyl]butyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[4-(2-methoxy-5-nitrophenyl)piperazin-1-yl]butyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[4-(2-methoxy-5-nitro-phenyl)piperazino]butyl]-4-methyl-benzenesulfonamide Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCN2CCN(CC2)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCN2CCN(CC2)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H30N4O5S/c1-18-5-8-20(9-6-18)32(29,30)23-11-3-4-12-24-13-15-25(16-14-24)21-17-19(26(27)28)7-10-22(21)31-2/h5-10,17,23H,3-4,11-16H2,1-2H3