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

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-(2,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-(2,4-dimethoxyphenyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)-4-methylanilino]-N-(2,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-(2,4-dimethoxyphenyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-(2,4-dimethoxyphenyl)acetamide Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC(=O)NC2=C(C=C(C=C2)OC)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NCC(=O)NC2=C(C=C(C=C2)OC)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H31N3O5S/c1-17-8-9-18(14-22(17)32(28,29)26-12-6-4-5-7-13-26)24-16-23(27)25-20-11-10-19(30-2)15-21(20)31-3/h8-11,14-15,24H,4-7,12-13,16H2,1-3H3,(H,25,27)