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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methylsulfonyl(phenyl)amino]butanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(N-methylsulfonylanilino)butanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(N-methylsulfonylanilino)butanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(N-methylsulfonylanilino)butanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(N-mesylanilino)butyramide Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5S2/c1-3-22(26(32(2,28)29)20-11-7-6-8-12-20)23(27)24-19-13-15-21(16-14-19)33(30,31)25-17-9-4-5-10-18-25/h6-8,11-16,22H,3-5,9-10,17-18H2,1-2H3,(H,24,27)