N-[3-oxidanylidene-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1,2-dihydroinden-5-yl]hexadecane-1-sulfonamide

Systemtic Name: N-[3-oxidanylidene-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1,2-dihydroinden-5-yl]hexadecane-1-sulfonamide Openeye Name: N-[3-oxo-2-(1-phenyltetrazol-5-yl)sulfanyl-indan-5-yl]hexadecane-1-sulfonamide CAS Name: N-[3-oxo-2-[(1-phenyl-5-tetrazolyl)thio]-1,2-dihydroinden-5-yl]-1-hexadecanesulfonamide IUPAC Name: N-[3-oxo-2-(1-phenyltetrazol-5-yl)sulfanyl-1,2-dihydroinden-5-yl]hexadecane-1-sulfonamide Traditional Name: N-[3-keto-2-[(1-phenyltetrazol-5-yl)thio]indan-5-yl]hexadecane-1-sulfonamide Formula: C32H45N5O3S2 MolecularWeight: 611.8614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC2=C(CC(C2=O)SC3=NN=NN3C4=CC=CC=C4)C=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC2=C(CC(C2=O)SC3=NN=NN3C4=CC=CC=C4)C=C1

InChI

InChI=1S/C32H45N5O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-42(39,40)34-27-22-21-26-24-30(31(38)29(26)25-27)41-32-33-35-36-37(32)28-19-16-15-17-20-28/h15-17,19-22,25,30,34H,2-14,18,23-24H2,1H3