N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-benzyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-benzyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-benzyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-piperidinosulfonyl-benzamide Formula: C27H27N3O3S3 MolecularWeight: 537.71658

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C27H27N3O3S3/c1-34-22-12-15-24-25(18-22)35-27(28-24)30(19-20-8-4-2-5-9-20)26(31)21-10-13-23(14-11-21)36(32,33)29-16-6-3-7-17-29/h2,4-5,8-15,18H,3,6-7,16-17,19H2,1H3