N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C24H24N4O4S3 MolecularWeight: 528.66676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H24N4O4S3/c1-32-18-9-10-19-21(14-18)34-24(26-19)27(16-17-6-4-11-25-15-17)23(29)20-7-2-3-12-28(20)35(30,31)22-8-5-13-33-22/h4-6,8-11,13-15,20H,2-3,7,12,16H2,1H3