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

Systemtic Name: N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C25H26N4O3S3 MolecularWeight: 526.69394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H26N4O3S3/c1-17(2)19-9-5-11-21-23(19)27-25(34-21)28(16-18-8-3-4-13-26-18)24(30)20-10-6-14-29(20)35(31,32)22-12-7-15-33-22/h3-5,7-9,11-13,15,17,20H,6,10,14,16H2,1-2H3