4-[(4-butylphenyl)methoxy]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[(4-butylphenyl)methoxy]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[(4-butylphenyl)methoxy]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[(4-butylphenyl)methoxy]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[(4-butylphenyl)methoxy]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(4-butylbenzyl)oxy-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C32H33N3O6S2 MolecularWeight: 619.75092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C32H33N3O6S2/c1-2-3-7-24-10-12-25(13-11-24)23-41-27-16-14-26(15-17-27)32(36)34-43(39,40)29-18-19-30(31(22-29)35(37)38)33-20-21-42-28-8-5-4-6-9-28/h4-6,8-19,22,33H,2-3,7,20-21,23H2,1H3,(H,34,36)