N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(11-oxa-3-azaspiro[5.5]undec-8-en-3-yl)benzamide

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(11-oxa-3-azaspiro[5.5]undec-8-en-3-yl)benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(11-oxa-3-azaspiro[5.5]undec-8-en-3-yl)benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(11-oxa-3-azaspiro[5.5]undec-8-en-3-yl)benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(11-oxa-3-azaspiro[5.5]undec-8-en-3-yl)benzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(11-oxa-3-azaspiro[5.5]undec-8-en-3-yl)benzamide Formula: C30H32N4O6S2 MolecularWeight: 608.72828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CC=CCO2)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(CCC12CC=CCO2)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/C30H32N4O6S2/c35-29(23-8-10-24(11-9-23)33-18-15-30(16-19-33)14-4-5-20-40-30)32-42(38,39)26-12-13-27(28(22-26)34(36)37)31-17-21-41-25-6-2-1-3-7-25/h1-13,22,31H,14-21H2,(H,32,35)