[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone

Systemtic Name: [4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone Openeye Name: [4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidyl]-(3-pyrrolidin-1-ylsulfonyl-2-thienyl)methanone CAS Name: [4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidinyl]-[3-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methanone IUPAC Name: [4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone Traditional Name: [4-(5-chloro-1,3-benzothiazol-2-yl)piperidino]-(3-pyrrolidinosulfonyl-2-thienyl)methanone Formula: C21H22ClN3O3S3 MolecularWeight: 496.06568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)N3CCC(CC3)C4=NC5=C(S4)C=CC(=C5)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)N3CCC(CC3)C4=NC5=C(S4)C=CC(=C5)Cl

InChI

InChI=1S/C21H22ClN3O3S3/c22-15-3-4-17-16(13-15)23-20(30-17)14-5-10-24(11-6-14)21(26)19-18(7-12-29-19)31(27,28)25-8-1-2-9-25/h3-4,7,12-14H,1-2,5-6,8-11H2