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

Systemtic Name: methyl 4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]benzoate CAS Name: 4-[[3-(1-azepanylsulfonyl)-4-methylanilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]carbamoyl]benzoate Traditional Name: 4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]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)NC(=O)C2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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