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

Systemtic Name: N-butylsulfonyl-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-benzamide Openeye Name: N-butylsulfonyl-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-benzamide CAS Name: N-butylsulfonyl-4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]-3-methoxybenzamide IUPAC Name: N-butylsulfonyl-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxybenzamide Traditional Name: N-butylsulfonyl-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-benzamide Formula: C29H39N3O5S MolecularWeight: 541.70206

Click to see the large picture

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)CCCC)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O5S/c1-5-8-10-21(7-3)28(33)30-25-14-13-22-15-16-32(26(22)19-25)20-24-12-11-23(18-27(24)37-4)29(34)31-38(35,36)17-9-6-2/h11-16,18-19,21H,5-10,17,20H2,1-4H3,(H,30,33)(H,31,34)