1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone

Systemtic Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone Openeye Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)ethanone CAS Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]ethanone IUPAC Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone Traditional Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-(5-pyrrolidinosulfonyl-2-thienyl)ethanone Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CC(=O)N3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CC(=O)N3CCC[C@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H23N3O3S3/c25-19(14-15-9-10-20(28-15)30(26,27)23-11-3-4-12-23)24-13-5-7-17(24)21-22-16-6-1-2-8-18(16)29-21/h1-2,6,8-10,17H,3-5,7,11-14H2/t17-/m0/s1