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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C26H35N3O3S/c1-21-7-10-23(11-8-21)20-27-13-6-14-28(18-17-27)26(30)25-19-24(12-9-22(25)2)33(31,32)29-15-4-3-5-16-29/h7-12,19H,3-6,13-18,20H2,1-2H3