butyl 2-[1-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)indol-3-yl]ethanoate

Systemtic Name: butyl 2-[1-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)indol-3-yl]ethanoate Openeye Name: butyl 2-[1-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)indol-3-yl]acetate CAS Name: 2-[1-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)-3-indolyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)indol-3-yl]acetate Traditional Name: 2-[1-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)indol-3-yl]acetic acid butyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC4=C(CCNC4)C=C3

Isomeric SMILES

CCCCOC(=O)CC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC4=C(CCNC4)C=C3

InChI

InChI=1S/C23H26N2O4S/c1-2-3-12-29-23(26)14-19-16-25(22-7-5-4-6-21(19)22)30(27,28)20-9-8-17-10-11-24-15-18(17)13-20/h4-9,13,16,24H,2-3,10-12,14-15H2,1H3