4-methyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-8-propan-2-yl-quinoline

Systemtic Name: 4-methyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-8-propan-2-yl-quinoline Openeye Name: 8-isopropyl-4-methyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]quinoline CAS Name: 4-methyl-2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-8-propan-2-ylquinoline IUPAC Name: 4-methyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-8-propan-2-ylquinoline Traditional Name: 8-isopropyl-4-methyl-2-[4-(2-nitrophenyl)sulfonylpiperazino]quinoline Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2C(C)C)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2C(C)C)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4S/c1-16(2)18-7-6-8-19-17(3)15-22(24-23(18)19)25-11-13-26(14-12-25)32(30,31)21-10-5-4-9-20(21)27(28)29/h4-10,15-16H,11-14H2,1-3H3