3-[(4-tert-butylsulfanyl-2-chloranyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-1H-indole-5-carboxamide

Systemtic Name: 3-[(4-tert-butylsulfanyl-2-chloranyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-1H-indole-5-carboxamide Openeye Name: 3-[(4-tert-butylsulfanyl-2-chloro-phenyl)methyl]-2-methyl-N-pentylsulfonyl-1H-indole-5-carboxamide CAS Name: 3-[[4-(tert-butylthio)-2-chlorophenyl]methyl]-2-methyl-N-pentylsulfonyl-1H-indole-5-carboxamide IUPAC Name: 3-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methyl-N-pentylsulfonyl-1H-indole-5-carboxamide Traditional Name: N-amylsulfonyl-3-[4-(tert-butylthio)-2-chloro-benzyl]-2-methyl-1H-indole-5-carboxamide Formula: C26H33ClN2O3S2 MolecularWeight: 521.13482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)NC(=C2CC3=C(C=C(C=C3)SC(C)(C)C)Cl)C

Isomeric SMILES

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)NC(=C2CC3=C(C=C(C=C3)SC(C)(C)C)Cl)C

InChI

InChI=1S/C26H33ClN2O3S2/c1-6-7-8-13-34(31,32)29-25(30)19-10-12-24-22(15-19)21(17(2)28-24)14-18-9-11-20(16-23(18)27)33-26(3,4)5/h9-12,15-16,28H,6-8,13-14H2,1-5H3,(H,29,30)