[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [2-methyl-5-(1-piperidylsulfonyl)phenyl]-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(2-methylbenzyl)-1,4-diazepan-1-yl]-(2-methyl-5-piperidinosulfonyl-phenyl)methanone Formula: C26H35N3O3S MolecularWeight: 469.6394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C26H35N3O3S/c1-21-9-4-5-10-23(21)20-27-13-8-14-28(18-17-27)26(30)25-19-24(12-11-22(25)2)33(31,32)29-15-6-3-7-16-29/h4-5,9-12,19H,3,6-8,13-18,20H2,1-2H3