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

Systemtic Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-propan-2-ylsulfonyl-benzamide Openeye Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-N-isopropylsulfonyl-3-methoxy-benzamide CAS Name: 4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]-3-methoxy-N-propan-2-ylsulfonylbenzamide IUPAC Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-N-propan-2-ylsulfonylbenzamide Traditional Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-N-isopropylsulfonyl-3-methoxy-benzamide Formula: C28H37N3O5S MolecularWeight: 527.67548

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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)C(C)C)OC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)NS(=O)(=O)C(C)C)OC

InChI

InChI=1S/C28H37N3O5S/c1-6-8-9-20(7-2)27(32)29-24-13-12-21-14-15-31(25(21)17-24)18-23-11-10-22(16-26(23)36-5)28(33)30-37(34,35)19(3)4/h10-17,19-20H,6-9,18H2,1-5H3,(H,29,32)(H,30,33)