[3-[6-(2-ethylhexanoylamino)indol-1-yl]-2-(phenylsulfonyl)propanoyl] 3-methoxybenzoate

Systemtic Name: [3-[6-(2-ethylhexanoylamino)indol-1-yl]-2-(phenylsulfonyl)propanoyl] 3-methoxybenzoate Openeye Name: [2-(benzenesulfonyl)-3-[6-(2-ethylhexanoylamino)indol-1-yl]propanoyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [2-(benzenesulfonyl)-3-[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]-1-oxopropyl] ester IUPAC Name: [2-(benzenesulfonyl)-3-[6-(2-ethylhexanoylamino)indol-1-yl]propanoyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [2-besyl-3-[6-(2-ethylhexanoylamino)indol-1-yl]propanoyl] ester Formula: C33H36N2O7S MolecularWeight: 604.71314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC(C(=O)OC(=O)C3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC(C(=O)OC(=O)C3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C33H36N2O7S/c1-4-6-11-23(5-2)31(36)34-26-17-16-24-18-19-35(29(24)21-26)22-30(43(39,40)28-14-8-7-9-15-28)33(38)42-32(37)25-12-10-13-27(20-25)41-3/h7-10,12-21,23,30H,4-6,11,22H2,1-3H3,(H,34,36)