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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H33N3O3S/c1-20-8-4-5-9-23(20)19-26-14-16-27(17-15-26)25(29)22-11-10-21(2)24(18-22)32(30,31)28-12-6-3-7-13-28/h4-5,8-11,18H,3,6-7,12-17,19H2,1-2H3