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

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-3-(azepan-1-ylsulfonyl)-4-chloranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(4-carbamoylphenyl)methyl]-4-chloro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(4-carbamoylphenyl)methyl]-4-chlorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(4-carbamoylphenyl)methyl]-4-chlorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4-carbamoylbenzyl)-4-chloro-benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4S/c22-18-10-9-17(13-19(18)30(28,29)25-11-3-1-2-4-12-25)21(27)24-14-15-5-7-16(8-6-15)20(23)26/h5-10,13H,1-4,11-12,14H2,(H2,23,26)(H,24,27)