ethyl 2-[butylsulfonyl-[2-[(4-cyanophenyl)methyl]-1-methyl-indol-5-yl]amino]ethanoate

Systemtic Name: ethyl 2-[butylsulfonyl-[2-[(4-cyanophenyl)methyl]-1-methyl-indol-5-yl]amino]ethanoate Openeye Name: ethyl 2-[butylsulfonyl-[2-[(4-cyanophenyl)methyl]-1-methyl-indol-5-yl]amino]acetate CAS Name: 2-[butylsulfonyl-[2-[(4-cyanophenyl)methyl]-1-methyl-5-indolyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[butylsulfonyl-[2-[(4-cyanophenyl)methyl]-1-methylindol-5-yl]amino]acetate Traditional Name: 2-[butylsulfonyl-[2-(4-cyanobenzyl)-1-methyl-indol-5-yl]amino]acetic acid ethyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(CC(=O)OCC)C1=CC2=C(C=C1)N(C(=C2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCCCS(=O)(=O)N(CC(=O)OCC)C1=CC2=C(C=C1)N(C(=C2)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C25H29N3O4S/c1-4-6-13-33(30,31)28(18-25(29)32-5-2)22-11-12-24-21(15-22)16-23(27(24)3)14-19-7-9-20(17-26)10-8-19/h7-12,15-16H,4-6,13-14,18H2,1-3H3