N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(3-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C27H28N4O4S2 MolecularWeight: 536.66562

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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(C=CC(=C5S4)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3=CN=CC=C3)C4=NC5=C(C=CC(=C5S4)C)OC

InChI

InChI=1S/C27H28N4O4S2/c1-18-8-11-21(12-9-18)37(33,34)31-15-5-7-22(31)26(32)30(17-20-6-4-14-28-16-20)27-29-24-23(35-3)13-10-19(2)25(24)36-27/h4,6,8-14,16,22H,5,7,15,17H2,1-3H3