N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylsulfonyl-N-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylsulfonyl-N-(phenylmethyl)piperidine-3-carboxamide Openeye Name: N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylsulfonyl-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-mesyl-nipecotamide Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCCN(C4)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCCN(C4)S(=O)(=O)C

InChI

InChI=1S/C23H27N3O4S2/c1-3-30-19-11-12-20-21(14-19)31-23(24-20)26(15-17-8-5-4-6-9-17)22(27)18-10-7-13-25(16-18)32(2,28)29/h4-6,8-9,11-12,14,18H,3,7,10,13,15-16H2,1-2H3