4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(4-nitrophenyl)sulfonyl-benzamide

Systemtic Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(4-nitrophenyl)sulfonyl-benzamide Openeye Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(4-nitrophenyl)sulfonyl-benzamide CAS Name: 4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]-3-methoxy-N-(4-nitrophenyl)sulfonylbenzamide IUPAC Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(4-nitrophenyl)sulfonylbenzamide Traditional Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-nosyl-benzamide Formula: C31H34N4O7S MolecularWeight: 606.68926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C31H34N4O7S/c1-4-6-7-21(5-2)30(36)32-25-11-10-22-16-17-34(28(22)19-25)20-24-9-8-23(18-29(24)42-3)31(37)33-43(40,41)27-14-12-26(13-15-27)35(38)39/h8-19,21H,4-7,20H2,1-3H3,(H,32,36)(H,33,37)