N-(1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-4-pyrrolidinosulfonyl-benzamide Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N3O3S2/c29-24(20-12-14-21(15-13-20)33(30,31)27-16-6-7-17-27)28(18-19-8-2-1-3-9-19)25-26-22-10-4-5-11-23(22)32-25/h1-5,8-15H,6-7,16-18H2