5-(4-methylpiperazin-1-yl)-N-(phenylmethyl)-2,4-bis(piperidin-1-ylsulfonyl)aniline

Systemtic Name: 5-(4-methylpiperazin-1-yl)-N-(phenylmethyl)-2,4-bis(piperidin-1-ylsulfonyl)aniline Openeye Name: N-benzyl-5-(4-methylpiperazin-1-yl)-2,4-bis(1-piperidylsulfonyl)aniline CAS Name: 5-(4-methyl-1-piperazinyl)-N-(phenylmethyl)-2,4-bis(1-piperidinylsulfonyl)aniline IUPAC Name: N-benzyl-5-(4-methylpiperazin-1-yl)-2,4-bis(piperidin-1-ylsulfonyl)aniline Traditional Name: benzyl-[5-(4-methylpiperazino)-2,4-bis(piperidinosulfonyl)phenyl]amine Formula: C28H41N5O4S2 MolecularWeight: 575.78624

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2S(=O)(=O)N3CCCCC3)S(=O)(=O)N4CCCCC4)NCC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2S(=O)(=O)N3CCCCC3)S(=O)(=O)N4CCCCC4)NCC5=CC=CC=C5

InChI

InChI=1S/C28H41N5O4S2/c1-30-17-19-31(20-18-30)26-21-25(29-23-24-11-5-2-6-12-24)27(38(34,35)32-13-7-3-8-14-32)22-28(26)39(36,37)33-15-9-4-10-16-33/h2,5-6,11-12,21-22,29H,3-4,7-10,13-20,23H2,1H3