N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O6S/c1-28-17-4-6-18(7-5-17)31(26,27)24-10-2-9-23(11-12-24)14-21(25)22-16-3-8-19-20(13-16)30-15-29-19/h3-8,13H,2,9-12,14-15H2,1H3,(H,22,25)