2-methyl-5-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[3-(4-phenyl-1-piperazinyl)propyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[3-(4-phenylpiperazino)propyl]benzenesulfonamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O4S/c1-17-8-9-19(24(25)26)16-20(17)29(27,28)21-10-5-11-22-12-14-23(15-13-22)18-6-3-2-4-7-18/h2-4,6-9,16,21H,5,10-15H2,1H3