N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-propyl-pentanamide hydrochloride

Systemtic Name: N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-propyl-pentanamide hydrochloride Openeye Name: 2-propyl-N-[2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]pentanamide hydrochloride CAS Name: N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethyl]-2-propylpentanamide hydrochloride IUPAC Name: N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-propylpentanamide hydrochloride Traditional Name: 2-propyl-N-[2-(4-tosylpiperazino)ethyl]valeramide hydrochloride Formula: C21H36ClN3O3S MolecularWeight: 446.04684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NCCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C.Cl

Isomeric SMILES

CCCC(CCC)C(=O)NCCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C.Cl

InChI

InChI=1S/C21H35N3O3S.ClH/c1-4-6-19(7-5-2)21(25)22-12-13-23-14-16-24(17-15-23)28(26,27)20-10-8-18(3)9-11-20;/h8-11,19H,4-7,12-17H2,1-3H3,(H,22,25);1H