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

Systemtic Name: N-methoxy-N-methyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-methoxy-N-methyl-3-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-methoxy-N-methyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N-methoxy-N-methyl-3-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-methoxy-N-methyl-3-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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