4-methyl-N-[(6R)-1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-6-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(6R)-1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-6-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[(6R)-1-methyl-4-(m-tolylmethyl)-1,4-diazepan-6-yl]benzenesulfonamide CAS Name: 4-methyl-N-[(6R)-1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-6-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[(6R)-1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-6-yl]benzenesulfonamide Traditional Name: 4-methyl-N-[(6R)-1-methyl-4-(3-methylbenzyl)-1,4-diazepan-6-yl]benzenesulfonamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CN(CCN(C2)CC3=CC=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CN(CCN(C2)CC3=CC=CC(=C3)C)C

InChI

InChI=1S/C21H29N3O2S/c1-17-7-9-21(10-8-17)27(25,26)22-20-15-23(3)11-12-24(16-20)14-19-6-4-5-18(2)13-19/h4-10,13,20,22H,11-12,14-16H2,1-3H3/t20-/m1/s1