N-[1-(2-azanyl-3-sulfanyl-propanoyl)-4-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide

Systemtic Name: N-[1-(2-azanyl-3-sulfanyl-propanoyl)-4-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide Openeye Name: N-[1-(2-amino-3-sulfanyl-propanoyl)-4-(o-tolylmethyl)-4-piperidyl]methanesulfonamide CAS Name: N-[1-(2-amino-3-mercapto-1-oxopropyl)-4-[(2-methylphenyl)methyl]-4-piperidinyl]methanesulfonamide IUPAC Name: N-[1-(2-amino-3-sulfanylpropanoyl)-4-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide Traditional Name: N-[1-(2-amino-3-mercapto-propanoyl)-4-(2-methylbenzyl)-4-piperidyl]methanesulfonamide Formula: C17H27N3O3S2 MolecularWeight: 385.54458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(CCN(CC2)C(=O)C(CS)N)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CC2(CCN(CC2)C(=O)C(CS)N)NS(=O)(=O)C

InChI

InChI=1S/C17H27N3O3S2/c1-13-5-3-4-6-14(13)11-17(19-25(2,22)23)7-9-20(10-8-17)16(21)15(18)12-24/h3-6,15,19,24H,7-12,18H2,1-2H3