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

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

Isomeric SMILES

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

InChI

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