4-(6-chloranylpyridin-3-yl)-N-[3-nitro-4-[(4-phenylsulfanylpiperidin-4-yl)methylamino]phenyl]sulfonyl-benzamide

Systemtic Name: 4-(6-chloranylpyridin-3-yl)-N-[3-nitro-4-[(4-phenylsulfanylpiperidin-4-yl)methylamino]phenyl]sulfonyl-benzamide Openeye Name: 4-(6-chloro-3-pyridyl)-N-[3-nitro-4-[(4-phenylsulfanyl-4-piperidyl)methylamino]phenyl]sulfonyl-benzamide CAS Name: 4-(6-chloro-3-pyridinyl)-N-[3-nitro-4-[[4-(phenylthio)-4-piperidinyl]methylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(6-chloropyridin-3-yl)-N-[3-nitro-4-[(4-phenylsulfanylpiperidin-4-yl)methylamino]phenyl]sulfonylbenzamide Traditional Name: 4-(6-chloro-3-pyridyl)-N-[3-nitro-4-[[4-(phenylthio)-4-piperidyl]methylamino]phenyl]sulfonyl-benzamide Formula: C30H28ClN5O5S2 MolecularWeight: 638.15682

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(CNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CN=C(C=C4)Cl)[N+](=O)[O-])SC5=CC=CC=C5

Isomeric SMILES

C1CNCCC1(CNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CN=C(C=C4)Cl)[N+](=O)[O-])SC5=CC=CC=C5

InChI

InChI=1S/C30H28ClN5O5S2/c31-28-13-10-23(19-33-28)21-6-8-22(9-7-21)29(37)35-43(40,41)25-11-12-26(27(18-25)36(38)39)34-20-30(14-16-32-17-15-30)42-24-4-2-1-3-5-24/h1-13,18-19,32,34H,14-17,20H2,(H,35,37)