(2S)-N-(1-adamantyl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(1-adamantyl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(1-adamantyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanamide CAS Name: (2S)-N-(1-adamantyl)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: (2S)-N-(1-adamantyl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(1-adamantyl)-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]propionamide Formula: C23H34N4O3S2 MolecularWeight: 478.67106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=C(C=C4)S(=O)(=O)N5CCN(CC5)C

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=C(C=C4)S(=O)(=O)N5CCN(CC5)C

InChI

InChI=1S/C23H34N4O3S2/c1-16(22(28)25-23-12-17-9-18(13-23)11-19(10-17)14-23)31-21-4-3-20(15-24-21)32(29,30)27-7-5-26(2)6-8-27/h3-4,15-19H,5-14H2,1-2H3,(H,25,28)/t16-,17?,18?,19?,23?/m0/s1