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

Systemtic Name: methyl 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-4-methyl-benzoate CAS Name: 3-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-4-methylbenzoate Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-4-methyl-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)OC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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