methyl 3-[[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 3-[[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 3-[[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl]amino]benzoate CAS Name: 3-[[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]amino]benzoate Traditional Name: 3-[[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl]amino]benzoic acid methyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O5S/c1-17-10-11-20(15-21(17)32(29,30)26-12-5-3-4-6-13-26)25-22(27)16-24-19-9-7-8-18(14-19)23(28)31-2/h7-11,14-15,24H,3-6,12-13,16H2,1-2H3,(H,25,27)