N-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-N-propan-2-yl-benzenesulfonamide

Systemtic Name: N-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-N-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-methyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-N-propan-2-ylbenzenesulfonamide IUPAC Name: N-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-N-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-16(2)22(3)31(29,30)20-6-4-5-17(15-20)21(26)24-13-11-23(12-14-24)18-7-9-19(10-8-18)25(27)28/h4-10,15-16H,11-14H2,1-3H3