N-[(2-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-(3,4-dimethoxyphenyl)sulfonyl-1,4-diazepane-1-carboxamide Formula: C21H26ClN3O5S MolecularWeight: 467.96624

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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=C3Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C21H26ClN3O5S/c1-29-19-9-8-17(14-20(19)30-2)31(27,28)25-11-5-10-24(12-13-25)21(26)23-15-16-6-3-4-7-18(16)22/h3-4,6-9,14H,5,10-13,15H2,1-2H3,(H,23,26)