N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(1-pyrazolyl)ethyl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C22H23N5O4S3 MolecularWeight: 517.64412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H23N5O4S3/c1-31-16-7-8-17-19(15-16)33-22(24-17)26(13-12-25-10-4-9-23-25)21(28)18-5-2-11-27(18)34(29,30)20-6-3-14-32-20/h3-4,6-10,14-15,18H,2,5,11-13H2,1H3