N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C24H24N4O3S3 MolecularWeight: 512.66736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5)C

InChI

InChI=1S/C24H24N4O3S3/c1-16-12-17(2)22-20(13-16)33-24(26-22)27(15-18-6-3-9-25-14-18)23(29)19-7-4-10-28(19)34(30,31)21-8-5-11-32-21/h3,5-6,8-9,11-14,19H,4,7,10,15H2,1-2H3