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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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