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

Systemtic Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(phenylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-benzyl-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxamide CAS Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(phenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-benzyl-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-benzyl-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H27N3O5S/c1-28-19-10-9-18(15-20(19)29-2)30(26,27)24-12-6-11-23(13-14-24)21(25)22-16-17-7-4-3-5-8-17/h3-5,7-10,15H,6,11-14,16H2,1-2H3,(H,22,25)