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

Systemtic Name: N-(phenylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-benzyl-N-(4-isopropyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(phenylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-benzyl-N-(4-isopropyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C26H27N3O3S3 MolecularWeight: 525.70588

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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=CS5

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C26H27N3O3S3/c1-18(2)20-11-6-13-22-24(20)27-26(34-22)28(17-19-9-4-3-5-10-19)25(30)21-12-7-15-29(21)35(31,32)23-14-8-16-33-23/h3-6,8-11,13-14,16,18,21H,7,12,15,17H2,1-2H3