N-(cyclopropylmethyl)-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(cyclopropylmethyl)-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(cyclopropylmethyl)-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxamide CAS Name: N-(cyclopropylmethyl)-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-(cyclopropylmethyl)-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-(cyclopropylmethyl)-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxamide Formula: C18H27N3O5S MolecularWeight: 397.48908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC3CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC3CC3)OC

InChI

InChI=1S/C18H27N3O5S/c1-25-16-7-6-15(12-17(16)26-2)27(23,24)21-9-3-8-20(10-11-21)18(22)19-13-14-4-5-14/h6-7,12,14H,3-5,8-11,13H2,1-2H3,(H,19,22)