sodium 2-[2-[bis(4-dimethylaminophenyl)carbamoylamino]ethanoylamino]ethanesulfonate

Systemtic Name: sodium 2-[2-[bis(4-dimethylaminophenyl)carbamoylamino]ethanoylamino]ethanesulfonate Openeye Name: sodium 2-[[2-[bis(4-dimethylaminophenyl)carbamoylamino]acetyl]amino]ethanesulfonate CAS Name: sodium 2-[[2-[[[4-(dimethylamino)-N-(4-dimethylaminophenyl)anilino]-oxomethyl]amino]-1-oxoethyl]amino]ethanesulfonate IUPAC Name: sodium 2-[[2-[bis(4-dimethylaminophenyl)carbamoylamino]acetyl]amino]ethanesulfonate Traditional Name: sodium 2-[[2-[bis(4-dimethylaminophenyl)carbamoylamino]acetyl]amino]ethanesulfonate Formula: C21H28N5NaO5S MolecularWeight: 485.53229

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(C)C)C(=O)NCC(=O)NCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(C)C)C(=O)NCC(=O)NCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H29N5O5S.Na/c1-24(2)16-5-9-18(10-6-16)26(19-11-7-17(8-12-19)25(3)4)21(28)23-15-20(27)22-13-14-32(29,30)31;/h5-12H,13-15H2,1-4H3,(H,22,27)(H,23,28)(H,29,30,31);/q;+1/p-1