methyl 3-[[1-[(4-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-2-methyl-benzoate

Systemtic Name: methyl 3-[[1-[(4-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-2-methyl-benzoate Openeye Name: methyl 3-[[1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-2-methyl-benzoate CAS Name: 3-[[[1-[(4-bromophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-2-methylbenzoate Traditional Name: 3-[[1-(4-bromobenzyl)sulfonylisonipecotoyl]amino]-2-methyl-benzoic acid methyl ester Formula: C22H25BrN2O5S MolecularWeight: 509.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C22H25BrN2O5S/c1-15-19(22(27)30-2)4-3-5-20(15)24-21(26)17-10-12-25(13-11-17)31(28,29)14-16-6-8-18(23)9-7-16/h3-9,17H,10-14H2,1-2H3,(H,24,26)