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

Systemtic Name: 3-chloranyl-N-[3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]benzenesulfonamide Openeye Name: 3-chloro-N-[3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 3-chloro-N-[3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: 3-chloro-N-[3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: 3-chloro-N-[3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]phenyl]benzenesulfonamide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl)CC4CC4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl)CC4CC4

InChI

InChI=1S/C22H26ClN3O3S/c23-19-5-2-7-21(15-19)30(28,29)24-20-6-1-4-18(14-20)22(27)26-11-3-10-25(12-13-26)16-17-8-9-17/h1-2,4-7,14-15,17,24H,3,8-13,16H2