N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-chlorophenyl)-methylsulfonyl-amino]propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-chlorophenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chloro-N-methylsulfonyl-anilino)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-chloro-N-methylsulfonylanilino)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chloro-N-methylsulfonylanilino)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chloro-N-mesyl-anilino)propionamide Formula: C22H28ClN3O5S2 MolecularWeight: 514.05782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N(C3=CC=C(C=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N(C3=CC=C(C=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C22H28ClN3O5S2/c1-17(26(32(2,28)29)20-11-7-18(23)8-12-20)22(27)24-19-9-13-21(14-10-19)33(30,31)25-15-5-3-4-6-16-25/h7-14,17H,3-6,15-16H2,1-2H3,(H,24,27)