1,3-benzothiazol-2-ylmethyl 1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(1-methylpyrrol-3-yl)sulfonylisonipecotic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N3O4S2/c1-21-9-8-15(12-21)28(24,25)22-10-6-14(7-11-22)19(23)26-13-18-20-16-4-2-3-5-17(16)27-18/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3