1-[(3S)-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]carbonylpiperidin-1-yl]ethanone

Systemtic Name: 1-[(3S)-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]carbonylpiperidin-1-yl]ethanone Openeye Name: 1-[(3S)-3-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]-1-piperidyl]ethanone CAS Name: 1-[(3S)-3-[oxo-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]methyl]-1-piperidinyl]ethanone IUPAC Name: 1-[(3S)-3-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone Traditional Name: 1-[(3S)-3-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]piperidino]ethanone Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCN(C3)C(=O)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H]3CCCN(C3)C(=O)C

InChI

InChI=1S/C21H31N3O4S/c1-3-5-18-7-9-20(10-8-18)29(27,28)24-14-12-22(13-15-24)21(26)19-6-4-11-23(16-19)17(2)25/h7-10,19H,3-6,11-16H2,1-2H3/t19-/m0/s1