4-[4-methoxy-2-[(4-methylphenyl)carbonylamino]-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid

Systemtic Name: 4-[4-methoxy-2-[(4-methylphenyl)carbonylamino]-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid Openeye Name: 4-[4-methoxy-2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid CAS Name: 4-[4-methoxy-2-[[(4-methylphenyl)-oxomethyl]amino]-1,3-benzothiazol-7-yl]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-methoxy-2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid Traditional Name: 4-[4-methoxy-2-(p-toluoylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)C4CCN(CC4)C(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)C4CCN(CC4)C(=O)O)OC

InChI

InChI=1S/C22H23N3O4S/c1-13-3-5-15(6-4-13)20(26)24-21-23-18-17(29-2)8-7-16(19(18)30-21)14-9-11-25(12-10-14)22(27)28/h3-8,14H,9-12H2,1-2H3,(H,27,28)(H,23,24,26)