N-(phenylmethyl)-2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(phenylmethyl)-2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-benzyl-2-[[6-(1-piperidylsulfonyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide CAS Name: N-(phenylmethyl)-2-[[6-(1-piperidinylsulfonyl)-1,3-benzothiazol-2-yl]thio]acetamide IUPAC Name: N-benzyl-2-[(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-benzyl-2-[(6-piperidinosulfonyl-1,3-benzothiazol-2-yl)thio]acetamide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S3/c25-20(22-14-16-7-3-1-4-8-16)15-28-21-23-18-10-9-17(13-19(18)29-21)30(26,27)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,22,25)