4-[4-(hydroxymethyl)-4-methyl-piperidin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[4-(hydroxymethyl)-4-methyl-piperidin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[4-(hydroxymethyl)-4-methyl-1-piperidyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[4-(hydroxymethyl)-4-methyl-1-piperidinyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(4-methyl-4-methylol-piperidino)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C28H32N4O6S2 MolecularWeight: 584.70688

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])CO

Isomeric SMILES

CC1(CCN(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])CO

InChI

InChI=1S/C28H32N4O6S2/c1-28(20-33)13-16-31(17-14-28)22-9-7-21(8-10-22)27(34)30-40(37,38)24-11-12-25(26(19-24)32(35)36)29-15-18-39-23-5-3-2-4-6-23/h2-12,19,29,33H,13-18,20H2,1H3,(H,30,34)