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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[[3-(2-methylpyrimidin-4-yl)phenyl]amino]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[3-(2-methyl-4-pyrimidinyl)anilino]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC2=CC=CC(=C2)C3=NC(=NC=C3)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC2=CC=CC(=C2)C3=NC(=NC=C3)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H31N5O3S/c1-19-10-11-23(17-25(19)35(33,34)31-14-5-3-4-6-15-31)30-26(32)18-28-22-9-7-8-21(16-22)24-12-13-27-20(2)29-24/h7-13,16-17,28H,3-6,14-15,18H2,1-2H3,(H,30,32)