1-[2-methyl-3-oxidanylidene-3-[[2-oxidanyl-4-phenyl-3-(sulfinatoamino)butyl]amino]propyl]sulfonyl-4-(pyridin-3-ylmethyl)piperazine

Systemtic Name: 1-[2-methyl-3-oxidanylidene-3-[[2-oxidanyl-4-phenyl-3-(sulfinatoamino)butyl]amino]propyl]sulfonyl-4-(pyridin-3-ylmethyl)piperazine Openeye Name: 1-[3-[[2-hydroxy-4-phenyl-3-(sulfinatoamino)butyl]amino]-2-methyl-3-oxo-propyl]sulfonyl-4-(3-pyridylmethyl)piperazine CAS Name: 1-[3-[[2-hydroxy-4-phenyl-3-(sulfinatoamino)butyl]amino]-2-methyl-3-oxopropyl]sulfonyl-4-(3-pyridinylmethyl)piperazine IUPAC Name: 1-[3-[[2-hydroxy-4-phenyl-3-(sulfinatoamino)butyl]amino]-2-methyl-3-oxopropyl]sulfonyl-4-(pyridin-3-ylmethyl)piperazine Traditional Name: 1-[3-[[2-hydroxy-4-phenyl-3-(sulfinatoamino)butyl]amino]-3-keto-2-methyl-propyl]sulfonyl-4-(3-pyridylmethyl)piperazine Formula: C24H34N5O6S2- MolecularWeight: 552.68666

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CCN(CC1)CC2=CN=CC=C2)C(=O)NCC(C(CC3=CC=CC=C3)NS(=O)[O-])O

Isomeric SMILES

CC(CS(=O)(=O)N1CCN(CC1)CC2=CN=CC=C2)C(=O)NCC(C(CC3=CC=CC=C3)NS(=O)[O-])O

InChI

InChI=1S/C24H35N5O6S2/c1-19(18-37(34,35)29-12-10-28(11-13-29)17-21-8-5-9-25-15-21)24(31)26-16-23(30)22(27-36(32)33)14-20-6-3-2-4-7-20/h2-9,15,19,22-23,27,30H,10-14,16-18H2,1H3,(H,26,31)(H,32,33)/p-1