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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

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