N-[4-methylsulfanyl-1-oxidanylidene-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)butan-2-yl]benzamide

Systemtic Name: N-[4-methylsulfanyl-1-oxidanylidene-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)butan-2-yl]benzamide Openeye Name: N-[3-methylsulfanyl-1-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)propyl]benzamide CAS Name: N-[4-(methylthio)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]butan-2-yl]benzamide IUPAC Name: N-[4-methylsulfanyl-1-oxo-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)butan-2-yl]benzamide Traditional Name: N-[3-(methylthio)-1-(4-pyrrolidinosulfonylpiperazine-1-carbonyl)propyl]benzamide Formula: C20H30N4O4S2 MolecularWeight: 454.6066

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)S(=O)(=O)N2CCCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)N1CCN(CC1)S(=O)(=O)N2CCCC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H30N4O4S2/c1-29-16-9-18(21-19(25)17-7-3-2-4-8-17)20(26)22-12-14-24(15-13-22)30(27,28)23-10-5-6-11-23/h2-4,7-8,18H,5-6,9-16H2,1H3,(H,21,25)