2-methylsulfanyl-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]-N,N-dipropyl-benzenesulfonamide

Systemtic Name: 2-methylsulfanyl-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]-N,N-dipropyl-benzenesulfonamide Openeye Name: 2-methylsulfanyl-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]-N,N-dipropyl-benzenesulfonamide CAS Name: 2-(methylthio)-5-[1-oxo-5-(4-phenyl-1-piperazinyl)pentyl]-N,N-dipropylbenzenesulfonamide IUPAC Name: 2-methylsulfanyl-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]-N,N-dipropylbenzenesulfonamide Traditional Name: 2-(methylthio)-5-[5-(4-phenylpiperazino)pentanoyl]-N,N-dipropyl-benzenesulfonamide Formula: C28H41N3O3S2 MolecularWeight: 531.77344

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)CCCCN2CCN(CC2)C3=CC=CC=C3)SC

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)CCCCN2CCN(CC2)C3=CC=CC=C3)SC

InChI

InChI=1S/C28H41N3O3S2/c1-4-16-31(17-5-2)36(33,34)28-23-24(14-15-27(28)35-3)26(32)13-9-10-18-29-19-21-30(22-20-29)25-11-7-6-8-12-25/h6-8,11-12,14-15,23H,4-5,9-10,13,16-22H2,1-3H3