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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(C)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC(C)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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