4-(4,4-dimethylpiperidin-1-yl)-N'-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzenecarboximidamide

Systemtic Name: 4-(4,4-dimethylpiperidin-1-yl)-N'-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzenecarboximidamide Openeye Name: 4-(4,4-dimethyl-1-piperidyl)-N'-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamidine CAS Name: 4-(4,4-dimethyl-1-piperidinyl)-N'-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzenecarboximidamide IUPAC Name: 4-(4,4-dimethylpiperidin-1-yl)-N'-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzenecarboximidamide Traditional Name: 4-(4,4-dimethylpiperidino)-N'-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamidine Formula: C28H33N5O4S2 MolecularWeight: 567.72272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N5O4S2/c1-28(2)14-17-32(18-15-28)22-10-8-21(9-11-22)27(29)31-39(36,37)24-12-13-25(26(20-24)33(34)35)30-16-19-38-23-6-4-3-5-7-23/h3-13,20,30H,14-19H2,1-2H3,(H2,29,31)