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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-7-chloranyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-7-chloro-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-7-chloro-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-7-chloro-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-7-chloro-piperonylamide Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H21ClN2O5S/c21-17-11-14(12-18-19(17)28-13-27-18)20(24)22-15-5-7-16(8-6-15)29(25,26)23-9-3-1-2-4-10-23/h5-8,11-12H,1-4,9-10,13H2,(H,22,24)