3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[3-(dimethylamino)propyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[3-(dimethylamino)propyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(dimethylamino)propyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[3-(dimethylamino)propyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(dimethylamino)propyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[3-(dimethylamino)propyl]benzamide Formula: C18H28ClN3O3S MolecularWeight: 401.95122

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CN(C)CCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H28ClN3O3S/c1-21(2)11-7-10-20-18(23)15-8-9-16(19)17(14-15)26(24,25)22-12-5-3-4-6-13-22/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,23)