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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H33N3O3S/c1-21-9-3-4-10-23(21)20-26-13-8-14-27(18-17-26)25(29)22-11-7-12-24(19-22)32(30,31)28-15-5-2-6-16-28/h3-4,7,9-12,19H,2,5-6,8,13-18,20H2,1H3