N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylpiperazin-1-yl)-2,4-bis(pyrrolidin-1-ylsulfonyl)aniline

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylpiperazin-1-yl)-2,4-bis(pyrrolidin-1-ylsulfonyl)aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylpiperazin-1-yl)-2,4-bis(pyrrolidin-1-ylsulfonyl)aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methyl-1-piperazinyl)-2,4-bis(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylpiperazin-1-yl)-2,4-bis(pyrrolidin-1-ylsulfonyl)aniline Traditional Name: [5-(4-methylpiperazino)-2,4-bis(pyrrolidinosulfonyl)phenyl]-piperonyl-amine Formula: C27H37N5O6S2 MolecularWeight: 591.74258

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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=CC6=C(C=C5)OCO6

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2S(=O)(=O)N3CCCC3)S(=O)(=O)N4CCCC4)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H37N5O6S2/c1-29-12-14-30(15-13-29)23-17-22(28-19-21-6-7-24-25(16-21)38-20-37-24)26(39(33,34)31-8-2-3-9-31)18-27(23)40(35,36)32-10-4-5-11-32/h6-7,16-18,28H,2-5,8-15,19-20H2,1H3