4-methyl-N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]benzenesulfonamide Openeye Name: 4-methyl-N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]benzenesulfonamide CAS Name: 4-methyl-N-[4-[4-(3-nitrophenyl)-1-piperazinyl]butyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[4-[4-(3-nitrophenyl)piperazin-1-yl]butyl]benzenesulfonamide Traditional Name: 4-methyl-N-[4-[4-(3-nitrophenyl)piperazino]butyl]benzenesulfonamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-18-7-9-21(10-8-18)30(28,29)22-11-2-3-12-23-13-15-24(16-14-23)19-5-4-6-20(17-19)25(26)27/h4-10,17,22H,2-3,11-16H2,1H3