N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-methylsulfonyl-benzamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-methylsulfonyl-benzamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-methylsulfonyl-benzamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-methylsulfonylbenzamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-methylsulfonylbenzamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-mesyl-benzamide Formula: C22H22N2O3S3 MolecularWeight: 458.61668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C22H22N2O3S3/c1-3-4-5-6-9-14-28-22-24-18-13-12-16(15-19(18)29-22)23-21(25)17-10-7-8-11-20(17)30(2,26)27/h7-8,10-13,15H,3-4,9,14H2,1-2H3,(H,23,25)