N-[3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]phenyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-oxomethyl]phenyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]phenyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]phenyl]-1,3-benzodioxole-5-sulfonamide Formula: C23H27N3O5S MolecularWeight: 457.54258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCO4)CC5CC5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCO4)CC5CC5

InChI

InChI=1S/C23H27N3O5S/c27-23(26-10-2-9-25(11-12-26)15-17-5-6-17)18-3-1-4-19(13-18)24-32(28,29)20-7-8-21-22(14-20)31-16-30-21/h1,3-4,7-8,13-14,17,24H,2,5-6,9-12,15-16H2