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

Systemtic Name: N-(2-methoxyphenyl)-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-(2-methoxyphenyl)-3-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-methoxyphenyl)-3-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-methoxyphenyl)-3-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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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)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C27H31N3O4S/c1-21-11-13-22(14-12-21)20-29-15-6-16-30(18-17-29)27(31)23-7-5-8-24(19-23)35(32,33)28-25-9-3-4-10-26(25)34-2/h3-5,7-14,19,28H,6,15-18,20H2,1-2H3