4-(2-azanylethyl)-2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxymethylsulfonyl]benzamide

Systemtic Name: 4-(2-azanylethyl)-2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxymethylsulfonyl]benzamide Openeye Name: 4-(2-aminoethyl)-2-[(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxymethylsulfonyl]benzamide CAS Name: 4-(2-aminoethyl)-2-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-4-indolyl]oxymethylsulfonyl]benzamide IUPAC Name: 4-(2-aminoethyl)-2-[(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxymethylsulfonyl]benzamide Traditional Name: 4-(2-aminoethyl)-2-[(1-benzyl-2-ethyl-3-oxamoyl-indol-4-yl)oxymethylsulfonyl]benzamide Formula: C29H30N4O6S MolecularWeight: 562.6367

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCS(=O)(=O)C4=C(C=CC(=C4)CCN)C(=O)N)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCS(=O)(=O)C4=C(C=CC(=C4)CCN)C(=O)N)C(=O)C(=O)N

InChI

InChI=1S/C29H30N4O6S/c1-2-21-26(27(34)29(32)36)25-22(33(21)16-19-7-4-3-5-8-19)9-6-10-23(25)39-17-40(37,38)24-15-18(13-14-30)11-12-20(24)28(31)35/h3-12,15H,2,13-14,16-17,30H2,1H3,(H2,31,35)(H2,32,36)