N-[4-[[5-(2-ethylhexanoylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[[5-(2-ethylhexanoylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-phenyl]sulfonylbenzamide Openeye Name: N-[4-[[5-(2-ethylhexanoylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-phenyl]sulfonylbenzamide CAS Name: N-[4-[[5-[(2-ethyl-1-oxohexyl)amino]-1-methyl-3-indolyl]methyl]-3-methoxyphenyl]sulfonylbenzamide IUPAC Name: N-[4-[[5-(2-ethylhexanoylamino)-1-methylindol-3-yl]methyl]-3-methoxyphenyl]sulfonylbenzamide Traditional Name: N-[4-[[5-(2-ethylhexanoylamino)-1-methyl-indol-3-yl]methyl]-3-methoxy-phenyl]sulfonylbenzamide Formula: C32H37N3O5S MolecularWeight: 575.71828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4)OC)C

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4)OC)C

InChI

InChI=1S/C32H37N3O5S/c1-5-7-11-22(6-2)31(36)33-26-15-17-29-28(19-26)25(21-35(29)3)18-24-14-16-27(20-30(24)40-4)41(38,39)34-32(37)23-12-9-8-10-13-23/h8-10,12-17,19-22H,5-7,11,18H2,1-4H3,(H,33,36)(H,34,37)