(2S)-N-(1-adamantyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: (2S)-N-(1-adamantyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: (2S)-N-(1-adamantyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: (2S)-N-(1-adamantyl)-2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: (2S)-N-(1-adamantyl)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: (2S)-N-(1-adamantyl)-2-[4-(4-chlorophenyl)sulfonylpiperazino]propionamide Formula: C23H32ClN3O3S MolecularWeight: 466.03648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H32ClN3O3S/c1-16(22(28)25-23-13-17-10-18(14-23)12-19(11-17)15-23)26-6-8-27(9-7-26)31(29,30)21-4-2-20(24)3-5-21/h2-5,16-19H,6-15H2,1H3,(H,25,28)/t16-,17?,18?,19?,23?/m0/s1