3,4-dihydro-1H-isoquinolin-2-yl-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methanone Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5S/c1-16-13-21(26(28)29)14-22(17(16)2)32(30,31)25-11-8-19(9-12-25)23(27)24-10-7-18-5-3-4-6-20(18)15-24/h3-6,13-14,19H,7-12,15H2,1-2H3