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

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(o-tolylmethyl)piperazin-1-yl]-[3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazinyl]-[3-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(2-methylbenzyl)piperazino]-(3-piperidinosulfonylphenyl)methanone Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H31N3O3S/c1-20-8-3-4-9-22(20)19-25-14-16-26(17-15-25)24(28)21-10-7-11-23(18-21)31(29,30)27-12-5-2-6-13-27/h3-4,7-11,18H,2,5-6,12-17,19H2,1H3