4-[[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-4-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[1-[(5-bromo-2-thienyl)sulfonyl]piperidine-4-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[1-[(5-bromo-2-thiophenyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[1-[(5-bromo-2-thienyl)sulfonyl]isonipecotoyl]amino]-3-methyl-benzoic acid Formula: C18H19BrN2O5S2 MolecularWeight: 487.38786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H19BrN2O5S2/c1-11-10-13(18(23)24)2-3-14(11)20-17(22)12-6-8-21(9-7-12)28(25,26)16-5-4-15(19)27-16/h2-5,10,12H,6-9H2,1H3,(H,20,22)(H,23,24)