1-(2,5-dimethoxyphenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepane CAS Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-benzyl-4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepane Formula: C20H26N2O4S MolecularWeight: 390.49644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O4S/c1-25-18-9-10-19(26-2)20(15-18)27(23,24)22-12-6-11-21(13-14-22)16-17-7-4-3-5-8-17/h3-5,7-10,15H,6,11-14,16H2,1-2H3