methyl 2-[butylsulfonyl-(4-piperazin-1-ylphenyl)amino]ethanoate

Systemtic Name: methyl 2-[butylsulfonyl-(4-piperazin-1-ylphenyl)amino]ethanoate Openeye Name: methyl 2-(N-butylsulfonyl-4-piperazin-1-yl-anilino)acetate CAS Name: 2-[N-butylsulfonyl-4-(1-piperazinyl)anilino]acetic acid methyl ester IUPAC Name: methyl 2-(N-butylsulfonyl-4-piperazin-1-ylanilino)acetate Traditional Name: 2-(N-butylsulfonyl-4-piperazino-anilino)acetic acid methyl ester Formula: C17H27N3O4S MolecularWeight: 369.47898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(CC(=O)OC)C1=CC=C(C=C1)N2CCNCC2

Isomeric SMILES

CCCCS(=O)(=O)N(CC(=O)OC)C1=CC=C(C=C1)N2CCNCC2

InChI

InChI=1S/C17H27N3O4S/c1-3-4-13-25(22,23)20(14-17(21)24-2)16-7-5-15(6-8-16)19-11-9-18-10-12-19/h5-8,18H,3-4,9-14H2,1-2H3