N-(1,3-benzothiazol-2-yl)-N-phenethyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-phenethyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-phenethyl-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-phenethyl-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-phenethyl-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-phenethyl-3-pyrrolidinosulfonyl-benzamide Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H25N3O3S2/c30-25(21-11-8-12-22(19-21)34(31,32)28-16-6-7-17-28)29(18-15-20-9-2-1-3-10-20)26-27-23-13-4-5-14-24(23)33-26/h1-5,8-14,19H,6-7,15-18H2