N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-benzylsulfonyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)propanamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-benzylsulfonyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)propionamide Formula: C24H22ClN3O4S2 MolecularWeight: 516.03218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H22ClN3O4S2/c1-32-20-10-9-19(25)23-22(20)27-24(33-23)28(15-18-8-5-12-26-14-18)21(29)11-13-34(30,31)16-17-6-3-2-4-7-17/h2-10,12,14H,11,13,15-16H2,1H3