N-[3-[[2-(cyclohexylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[3-[[2-(cyclohexylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[3-[2-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]phenyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[3-[[2-(cyclohexylmethyl)-1,4-diazepan-1-yl]-oxomethyl]phenyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[3-[2-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]phenyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[3-[2-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]phenyl]-3,4-dimethoxy-benzenesulfonamide Formula: C27H37N3O5S MolecularWeight: 515.66478

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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)N3CCCNCC3CC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCNCC3CC4CCCCC4)OC

InChI

InChI=1S/C27H37N3O5S/c1-34-25-13-12-24(18-26(25)35-2)36(32,33)29-22-11-6-10-21(17-22)27(31)30-15-7-14-28-19-23(30)16-20-8-4-3-5-9-20/h6,10-13,17-18,20,23,28-29H,3-5,7-9,14-16,19H2,1-2H3