N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide Formula: C26H26N4O5S2 MolecularWeight: 538.63844

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC=C1C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CNCC=C1C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O5S2/c31-26(21-8-6-19(7-9-21)20-12-14-27-15-13-20)29-37(34,35)23-10-11-24(25(18-23)30(32)33)28-16-17-36-22-4-2-1-3-5-22/h1-12,18,27-28H,13-17H2,(H,29,31)