1-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: N-benzyl-1-(4-fluorophenyl)sulfonyl-N-(4-isopropyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide CAS Name: 1-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-2-pyrrolidinecarboxamide IUPAC Name: N-benzyl-1-(4-fluorophenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: N-benzyl-1-(4-fluorophenyl)sulfonyl-N-(4-isopropyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Formula: C28H28FN3O3S2 MolecularWeight: 537.668623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H28FN3O3S2/c1-19(2)23-10-6-12-25-26(23)30-28(36-25)31(18-20-8-4-3-5-9-20)27(33)24-11-7-17-32(24)37(34,35)22-15-13-21(29)14-16-22/h3-6,8-10,12-16,19,24H,7,11,17-18H2,1-2H3