N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-pyrrolidinosulfonyl-benzamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O3S2/c24-20(21-11-10-19-22-17-8-1-2-9-18(17)27-19)15-6-5-7-16(14-15)28(25,26)23-12-3-4-13-23/h1-2,5-9,14H,3-4,10-13H2,(H,21,24)