N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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