3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chloranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-chlorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-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=C(C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

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

InChI

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