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

Systemtic Name: 5-(4-methylpiperazin-1-yl)-N-(phenylmethyl)-2,4-bis(pyrrolidin-1-ylsulfonyl)aniline Openeye Name: N-benzyl-5-(4-methylpiperazin-1-yl)-2,4-bis(pyrrolidin-1-ylsulfonyl)aniline CAS Name: 5-(4-methyl-1-piperazinyl)-N-(phenylmethyl)-2,4-bis(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-benzyl-5-(4-methylpiperazin-1-yl)-2,4-bis(pyrrolidin-1-ylsulfonyl)aniline Traditional Name: benzyl-[5-(4-methylpiperazino)-2,4-bis(pyrrolidinosulfonyl)phenyl]amine Formula: C26H37N5O4S2 MolecularWeight: 547.73308

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2S(=O)(=O)N3CCCC3)S(=O)(=O)N4CCCC4)NCC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2S(=O)(=O)N3CCCC3)S(=O)(=O)N4CCCC4)NCC5=CC=CC=C5

InChI

InChI=1S/C26H37N5O4S2/c1-28-15-17-29(18-16-28)24-19-23(27-21-22-9-3-2-4-10-22)25(36(32,33)30-11-5-6-12-30)20-26(24)37(34,35)31-13-7-8-14-31/h2-4,9-10,19-20,27H,5-8,11-18,21H2,1H3