N-[3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]phenyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-oxomethyl]phenyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]phenyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]phenyl]-3,4-dimethoxy-benzenesulfonamide Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCN(CC3)CC4CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCN(CC3)CC4CC4)OC

InChI

InChI=1S/C24H31N3O5S/c1-31-22-10-9-21(16-23(22)32-2)33(29,30)25-20-6-3-5-19(15-20)24(28)27-12-4-11-26(13-14-27)17-18-7-8-18/h3,5-6,9-10,15-16,18,25H,4,7-8,11-14,17H2,1-2H3