4-(4-octylphenyl)-1-(1H-1,2,4-triazol-5-ylsulfonyl)butan-2-amine

Systemtic Name: 4-(4-octylphenyl)-1-(1H-1,2,4-triazol-5-ylsulfonyl)butan-2-amine Openeye Name: 4-(4-octylphenyl)-1-(1H-1,2,4-triazol-5-ylsulfonyl)butan-2-amine CAS Name: 4-(4-octylphenyl)-1-(1H-1,2,4-triazol-5-ylsulfonyl)-2-butanamine IUPAC Name: 4-(4-octylphenyl)-1-(1H-1,2,4-triazol-5-ylsulfonyl)butan-2-amine Traditional Name: [3-(4-octylphenyl)-1-(1H-1,2,4-triazol-5-ylsulfonylmethyl)propyl]amine Formula: C20H32N4O2S MolecularWeight: 392.55868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(CS(=O)(=O)C2=NC=NN2)N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CS(=O)(=O)C2=NC=NN2)N

InChI

InChI=1S/C20H32N4O2S/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(21)15-27(25,26)20-22-16-23-24-20/h9-12,16,19H,2-8,13-15,21H2,1H3,(H,22,23,24)