methyl 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-benzoyl]amino]benzoate CAS Name: 3-[[[3-(1-azepanylsulfonyl)-4-methylphenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(azepan-1-ylsulfonyl)-4-methylbenzoyl]amino]benzoate Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)-4-methyl-benzoyl]amino]benzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-16-10-11-17(15-20(16)30(27,28)24-12-5-3-4-6-13-24)21(25)23-19-9-7-8-18(14-19)22(26)29-2/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,23,25)