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

Systemtic Name: N-methoxy-N-methyl-4-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-methoxy-N-methyl-4-[4-(o-tolylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-methoxy-N-methyl-4-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N-methoxy-N-methyl-4-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-methoxy-N-methyl-4-[4-(2-methylbenzyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)OC

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)OC

InChI

InChI=1S/C22H29N3O4S/c1-18-7-4-5-8-20(18)17-24-13-6-14-25(16-15-24)22(26)19-9-11-21(12-10-19)30(27,28)23(2)29-3/h4-5,7-12H,6,13-17H2,1-3H3