2-[5-[(4-tert-butylphenyl)methoxy]-1-thiophen-2-ylsulfonyl-indol-3-yl]ethanamine

Systemtic Name: 2-[5-[(4-tert-butylphenyl)methoxy]-1-thiophen-2-ylsulfonyl-indol-3-yl]ethanamine Openeye Name: 2-[5-[(4-tert-butylphenyl)methoxy]-1-(2-thienylsulfonyl)indol-3-yl]ethanamine CAS Name: 2-[5-[(4-tert-butylphenyl)methoxy]-1-thiophen-2-ylsulfonyl-3-indolyl]ethanamine IUPAC Name: 2-[5-[(4-tert-butylphenyl)methoxy]-1-thiophen-2-ylsulfonylindol-3-yl]ethanamine Traditional Name: 2-[5-(4-tert-butylbenzyl)oxy-1-(2-thienylsulfonyl)indol-3-yl]ethylamine Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3CCN)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C=C3CCN)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C25H28N2O3S2/c1-25(2,3)20-8-6-18(7-9-20)17-30-21-10-11-23-22(15-21)19(12-13-26)16-27(23)32(28,29)24-5-4-14-31-24/h4-11,14-16H,12-13,17,26H2,1-3H3