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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(3-phenylpyrrolidin-1-yl)benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(3-phenylpyrrolidin-1-yl)benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(3-phenyl-1-pyrrolidinyl)benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(3-phenylpyrrolidin-1-yl)benzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(3-phenylpyrrolidino)benzamide Formula: C31H30N4O5S2 MolecularWeight: 602.7237

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H30N4O5S2/c36-31(24-11-13-26(14-12-24)34-19-17-25(22-34)23-7-3-1-4-8-23)33-42(39,40)28-15-16-29(30(21-28)35(37)38)32-18-20-41-27-9-5-2-6-10-27/h1-16,21,25,32H,17-20,22H2,(H,33,36)