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

Systemtic Name: methyl 3-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O5S/c1-17-8-10-19(24(29)32-3)14-21(17)26-23(28)16-25-20-11-9-18(2)22(15-20)33(30,31)27-12-6-4-5-7-13-27/h8-11,14-15,25H,4-7,12-13,16H2,1-3H3,(H,26,28)