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

Systemtic Name: 1-[2-methyl-3-oxidanylidene-3-[[2-oxidanyl-4-phenyl-3-(sulfinoamino)butyl]amino]propyl]sulfonyl-4-(pyridin-2-ylmethyl)piperazine Openeye Name: 1-[3-[[2-hydroxy-4-phenyl-3-(sulfinoamino)butyl]amino]-2-methyl-3-oxo-propyl]sulfonyl-4-(2-pyridylmethyl)piperazine CAS Name: 1-[3-[[2-hydroxy-4-phenyl-3-(sulfinoamino)butyl]amino]-2-methyl-3-oxopropyl]sulfonyl-4-(2-pyridinylmethyl)piperazine IUPAC Name: 1-[3-[[2-hydroxy-4-phenyl-3-(sulfinoamino)butyl]amino]-2-methyl-3-oxopropyl]sulfonyl-4-(pyridin-2-ylmethyl)piperazine Traditional Name: 1-[3-[[2-hydroxy-4-phenyl-3-(sulfinoamino)butyl]amino]-3-keto-2-methyl-propyl]sulfonyl-4-(2-pyridylmethyl)piperazine Formula: C24H35N5O6S2 MolecularWeight: 553.6946

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CCN(CC1)CC2=CC=CC=N2)C(=O)NCC(C(CC3=CC=CC=C3)NS(=O)O)O

Isomeric SMILES

CC(CS(=O)(=O)N1CCN(CC1)CC2=CC=CC=N2)C(=O)NCC(C(CC3=CC=CC=C3)NS(=O)O)O

InChI

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