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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C28H30N4O3S2 MolecularWeight: 534.6928

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O3S2/c1-19(2)23-8-4-10-25-26(23)30-28(36-25)31(18-21-7-5-15-29-17-21)27(33)24-9-6-16-32(24)37(34,35)22-13-11-20(3)12-14-22/h4-5,7-8,10-15,17,19,24H,6,9,16,18H2,1-3H3