N-(4-aminocarbonylphenyl)-5-(azepan-1-ylsulfonyl)-2-chloranyl-benzamide

Systemtic Name: N-(4-aminocarbonylphenyl)-5-(azepan-1-ylsulfonyl)-2-chloranyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)-2-chloro-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(4-carbamoylphenyl)-2-chlorobenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)-2-chlorobenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)-2-chloro-benzamide Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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