3-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide

Systemtic Name: 3-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide Openeye Name: 3-methyl-N-[2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]butanamide CAS Name: 3-methyl-N-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethyl]butanamide IUPAC Name: 3-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide Traditional Name: 3-methyl-N-[2-(4-tosylpiperazino)ethyl]butyramide Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCNC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCNC(=O)CC(C)C

InChI

InChI=1S/C18H29N3O3S/c1-15(2)14-18(22)19-8-9-20-10-12-21(13-11-20)25(23,24)17-6-4-16(3)5-7-17/h4-7,15H,8-14H2,1-3H3,(H,19,22)