4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]benzenesulfonamide CAS Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]-3-nitro-benzenesulfonamide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O4S/c1-17(2)23-31(29,30)20-9-10-21(22(15-20)26(27)28)25-12-4-11-24(13-14-25)16-19-7-5-18(3)6-8-19/h5-10,15,17,23H,4,11-14,16H2,1-3H3