[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone Openeye Name: (1-methylsulfonyl-2-piperidyl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(1-methylsulfonyl-2-piperidinyl)methanone IUPAC Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone Traditional Name: (1-mesyl-2-piperidyl)-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3CCCCN3S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3CCCCN3S(=O)(=O)C

InChI

InChI=1S/C20H31N3O3S/c1-17-7-9-18(10-8-17)16-21-11-5-12-22(15-14-21)20(24)19-6-3-4-13-23(19)27(2,25)26/h7-10,19H,3-6,11-16H2,1-2H3