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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C)S(=O)(=O)N3CCCCCC3

InChI

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