N-[(2S)-1-(azocan-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-1-(azocan-1-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-1-(azocane-1-carbonyl)-3-methylsulfanyl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-1-(1-azocanyl)-4-(methylthio)-1-oxobutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-1-(azocan-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-1-(azocane-1-carbonyl)-3-(methylthio)propyl]-4-methyl-benzenesulfonamide Formula: C19H30N2O3S2 MolecularWeight: 398.5831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCSC)C(=O)N2CCCCCCC2

InChI

InChI=1S/C19H30N2O3S2/c1-16-8-10-17(11-9-16)26(23,24)20-18(12-15-25-2)19(22)21-13-6-4-3-5-7-14-21/h8-11,18,20H,3-7,12-15H2,1-2H3/t18-/m0/s1