N-(5-methoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(3-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C26H26N4O4S2 MolecularWeight: 522.63904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3=CN=CC=C3)C4=NC5=C(S4)C=CC(=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3=CN=CC=C3)C4=NC5=C(S4)C=CC(=C5)OC

InChI

InChI=1S/C26H26N4O4S2/c1-18-7-10-21(11-8-18)36(32,33)30-14-4-6-23(30)25(31)29(17-19-5-3-13-27-16-19)26-28-22-15-20(34-2)9-12-24(22)35-26/h3,5,7-13,15-16,23H,4,6,14,17H2,1-2H3