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

Systemtic Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(phenylsulfonyl)benzamide Openeye Name: N-(benzenesulfonyl)-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-benzamide CAS Name: N-(benzenesulfonyl)-4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]-3-methoxybenzamide IUPAC Name: N-(benzenesulfonyl)-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxybenzamide Traditional Name: N-besyl-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-benzamide Formula: C31H35N3O5S MolecularWeight: 561.6917

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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=CC=C4)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=CC=C4)OC

InChI

InChI=1S/C31H35N3O5S/c1-4-6-10-22(5-2)30(35)32-26-16-15-23-17-18-34(28(23)20-26)21-25-14-13-24(19-29(25)39-3)31(36)33-40(37,38)27-11-8-7-9-12-27/h7-9,11-20,22H,4-6,10,21H2,1-3H3,(H,32,35)(H,33,36)