N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(3-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(3-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C27H28N4O3S2 MolecularWeight: 520.66622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H28N4O3S2/c1-3-20-10-13-23-25(16-20)35-27(29-23)30(18-21-6-4-14-28-17-21)26(32)24-7-5-15-31(24)36(33,34)22-11-8-19(2)9-12-22/h4,6,8-14,16-17,24H,3,5,7,15,18H2,1-2H3