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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-methylphenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methyl-N-methylsulfonyl-anilino)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(N-mesyl-4-methyl-anilino)propionamide Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)C

InChI

InChI=1S/C23H31N3O5S2/c1-18-8-12-21(13-9-18)26(32(3,28)29)19(2)23(27)24-20-10-14-22(15-11-20)33(30,31)25-16-6-4-5-7-17-25/h8-15,19H,4-7,16-17H2,1-3H3,(H,24,27)