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

Systemtic Name: 4-(3,3-dimethylpiperidin-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(3,3-dimethyl-1-piperidyl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(3,3-dimethyl-1-piperidinyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(3,3-dimethylpiperidin-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(3,3-dimethylpiperidino)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C28H32N4O5S2 MolecularWeight: 568.70748

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1(CCCN(C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C28H32N4O5S2/c1-28(2)15-6-17-31(20-28)22-11-9-21(10-12-22)27(33)30-39(36,37)24-13-14-25(26(19-24)32(34)35)29-16-18-38-23-7-4-3-5-8-23/h3-5,7-14,19,29H,6,15-18,20H2,1-2H3,(H,30,33)