2-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl]sulfanyl-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl]thio]-N-(4-methoxyphenyl)acetamide Formula: C24H31N3O5S2 MolecularWeight: 505.65004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H31N3O5S2/c1-18-7-8-20(15-22(18)34(30,31)27-13-5-3-4-6-14-27)26-24(29)17-33-16-23(28)25-19-9-11-21(32-2)12-10-19/h7-12,15H,3-6,13-14,16-17H2,1-2H3,(H,25,28)(H,26,29)