N-butyl-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanamide

Systemtic Name: N-butyl-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanamide Openeye Name: N-butyl-2-[3-(o-tolylmethylsulfonyl)indol-1-yl]acetamide CAS Name: N-butyl-2-[3-[(2-methylphenyl)methylsulfonyl]-1-indolyl]acetamide IUPAC Name: N-butyl-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetamide Traditional Name: N-butyl-2-[3-(2-methylbenzyl)sulfonylindol-1-yl]acetamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC3=CC=CC=C3C

Isomeric SMILES

CCCCNC(=O)CN1C=C(C2=CC=CC=C21)S(=O)(=O)CC3=CC=CC=C3C

InChI

InChI=1S/C22H26N2O3S/c1-3-4-13-23-22(25)15-24-14-21(19-11-7-8-12-20(19)24)28(26,27)16-18-10-6-5-9-17(18)2/h5-12,14H,3-4,13,15-16H2,1-2H3,(H,23,25)