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

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-N-(2-pyridylmethyl)pyrrolidine-2-carboxamide Formula: C27H28N4O4S2 MolecularWeight: 536.66562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)OC)C

InChI

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