5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-chloranyl-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-chloranyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-piperonyl-benzamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23ClN2O5S/c22-18-7-6-16(30(26,27)24-9-3-1-2-4-10-24)12-17(18)21(25)23-13-15-5-8-19-20(11-15)29-14-28-19/h5-8,11-12H,1-4,9-10,13-14H2,(H,23,25)