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

Systemtic Name: N-[4-bromanyl-3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[4-bromo-3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]phenyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[4-bromo-3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-oxomethyl]phenyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[4-bromo-3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]phenyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[4-bromo-3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]phenyl]-3,4-dimethoxy-benzenesulfonamide Formula: C24H30BrN3O5S MolecularWeight: 552.4811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrN3O5S/c1-32-22-9-7-19(15-23(22)33-2)34(30,31)26-18-6-8-21(25)20(14-18)24(29)28-11-3-10-27(12-13-28)16-17-4-5-17/h6-9,14-15,17,26H,3-5,10-13,16H2,1-2H3