2-[butylsulfonyl-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]amino]ethanoic acid

Systemtic Name: 2-[butylsulfonyl-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]amino]ethanoic acid Openeye Name: 2-[N-butylsulfonyl-4-[4-[2-(4-piperidyl)ethyl]piperazin-1-yl]anilino]acetic acid CAS Name: 2-[N-butylsulfonyl-4-[4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]anilino]acetic acid IUPAC Name: 2-[N-butylsulfonyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]anilino]acetic acid Traditional Name: 2-[N-butylsulfonyl-4-[4-[2-(4-piperidyl)ethyl]piperazino]anilino]acetic acid Formula: C23H38N4O4S MolecularWeight: 466.63722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(CC(=O)O)C1=CC=C(C=C1)N2CCN(CC2)CCC3CCNCC3

Isomeric SMILES

CCCCS(=O)(=O)N(CC(=O)O)C1=CC=C(C=C1)N2CCN(CC2)CCC3CCNCC3

InChI

InChI=1S/C23H38N4O4S/c1-2-3-18-32(30,31)27(19-23(28)29)22-6-4-21(5-7-22)26-16-14-25(15-17-26)13-10-20-8-11-24-12-9-20/h4-7,20,24H,2-3,8-19H2,1H3,(H,28,29)