ethyl 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O4S2/c1-2-27-21(24)15-9-11-17(12-10-15)29(25,26)23-13-5-6-16(14-23)20-22-18-7-3-4-8-19(18)28-20/h3-4,7-12,16H,2,5-6,13-14H2,1H3/t16-/m0/s1