ethyl 4-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]acetyl]amino]benzoate CAS Name: 4-[[2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]acetyl]amino]benzoate Traditional Name: 4-[[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]acetyl]amino]benzoic acid ethyl ester Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O6S/c1-3-33-24(29)18-8-10-19(11-9-18)26-23(28)17-25-21-16-20(12-13-22(21)32-2)34(30,31)27-14-6-4-5-7-15-27/h8-13,16,25H,3-7,14-15,17H2,1-2H3,(H,26,28)