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

Systemtic Name: methyl 2-[butylsulfonyl-(4-piperazin-1-ylphenyl)amino]ethanoate hydrochloride Openeye Name: methyl 2-(N-butylsulfonyl-4-piperazin-1-yl-anilino)acetate hydrochloride CAS Name: 2-[N-butylsulfonyl-4-(1-piperazinyl)anilino]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-(N-butylsulfonyl-4-piperazin-1-ylanilino)acetate hydrochloride Traditional Name: 2-(N-butylsulfonyl-4-piperazino-anilino)acetic acid methyl ester hydrochloride Formula: C17H28ClN3O4S MolecularWeight: 405.93992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O4S.ClH/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;1H