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

Systemtic Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-(phenylmethyl)sulfonyl-benzamide Openeye Name: N-benzylsulfonyl-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-benzamide CAS Name: 4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]-3-methoxy-N-(phenylmethyl)sulfonylbenzamide IUPAC Name: N-benzylsulfonyl-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxybenzamide Traditional Name: N-benzylsulfonyl-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-benzamide Formula: C32H37N3O5S MolecularWeight: 575.71828

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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)CC4=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)CC4=CC=CC=C4)OC

InChI

InChI=1S/C32H37N3O5S/c1-4-6-12-24(5-2)31(36)33-28-16-15-25-17-18-35(29(25)20-28)21-27-14-13-26(19-30(27)40-3)32(37)34-41(38,39)22-23-10-8-7-9-11-23/h7-11,13-20,24H,4-6,12,21-22H2,1-3H3,(H,33,36)(H,34,37)