N-(3-aminocarbonylphenyl)-3-(azepan-1-ylsulfonyl)-4-chloranyl-benzamide

Systemtic Name: N-(3-aminocarbonylphenyl)-3-(azepan-1-ylsulfonyl)-4-chloranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(3-carbamoylphenyl)-4-chloro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(3-carbamoylphenyl)-4-chlorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(3-carbamoylphenyl)-4-chlorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(3-carbamoylphenyl)-4-chloro-benzamide Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)N)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)N)Cl

InChI

InChI=1S/C20H22ClN3O4S/c21-17-9-8-15(20(26)23-16-7-5-6-14(12-16)19(22)25)13-18(17)29(27,28)24-10-3-1-2-4-11-24/h5-9,12-13H,1-4,10-11H2,(H2,22,25)(H,23,26)