4-methyl-3-nitro-N-[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: 4-methyl-3-nitro-N-[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C25H26N4O5S MolecularWeight: 494.56274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O5S/c1-19-7-12-23(17-24(19)29(31)32)35(33,34)26-22-10-8-21(9-11-22)25(30)28-15-13-27(14-16-28)18-20-5-3-2-4-6-20/h2-12,17,26H,13-16,18H2,1H3