methyl 2-[butylsulfonyl-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]amino]ethanoate

Systemtic Name: methyl 2-[butylsulfonyl-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]amino]ethanoate Openeye Name: methyl 2-[N-butylsulfonyl-4-[4-[2-(4-piperidyl)ethyl]piperazin-1-yl]anilino]acetate CAS Name: 2-[N-butylsulfonyl-4-[4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]anilino]acetic acid methyl ester IUPAC Name: methyl 2-[N-butylsulfonyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]anilino]acetate Traditional Name: 2-[N-butylsulfonyl-4-[4-[2-(4-piperidyl)ethyl]piperazino]anilino]acetic acid methyl ester Formula: C24H40N4O4S MolecularWeight: 480.6638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40N4O4S/c1-3-4-19-33(30,31)28(20-24(29)32-2)23-7-5-22(6-8-23)27-17-15-26(16-18-27)14-11-21-9-12-25-13-10-21/h5-8,21,25H,3-4,9-20H2,1-2H3