4-chloranyl-N-methyl-3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-methyl-3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 4-chloro-N-methyl-3-[4-(o-tolylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: 4-chloro-N-methyl-3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-chloro-N-methyl-3-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: 4-chloro-N-methyl-3-[4-(2-methylbenzyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)NC)Cl

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)NC)Cl

InChI

InChI=1S/C21H26ClN3O3S/c1-16-6-3-4-7-17(16)15-24-10-5-11-25(13-12-24)21(26)19-14-18(8-9-20(19)22)29(27,28)23-2/h3-4,6-9,14,23H,5,10-13,15H2,1-2H3