N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonyl-anilino)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(N-mesyl-3,4-dimethyl-anilino)acetamide Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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