[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-methyl-5-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-(2-methyl-5-piperidinosulfonyl-phenyl)methanone Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C)C

InChI

InChI=1S/C25H33N3O3S/c1-19-8-7-9-24(21(19)3)26-14-16-27(17-15-26)25(29)23-18-22(11-10-20(23)2)32(30,31)28-12-5-4-6-13-28/h7-11,18H,4-6,12-17H2,1-3H3