N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-7-chloranyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-7-chloranyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-7-chloro-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-7-chloro-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-7-chloro-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-7-chloro-piperonylamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCO3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCO3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H23ClN2O5S/c1-14-6-7-16(12-19(14)30(26,27)24-8-4-2-3-5-9-24)23-21(25)15-10-17(22)20-18(11-15)28-13-29-20/h6-7,10-12H,2-5,8-9,13H2,1H3,(H,23,25)