4-[4-[(Z)-[(5Z)-3,6-bis(oxidanylidene)-5-[[4-(thiophen-2-ylcarbonylamino)phenyl]methylidene]piperazin-2-ylidene]methyl]phenoxy]butane-1-sulfonic acid

Systemtic Name: 4-[4-[(Z)-[(5Z)-3,6-bis(oxidanylidene)-5-[[4-(thiophen-2-ylcarbonylamino)phenyl]methylidene]piperazin-2-ylidene]methyl]phenoxy]butane-1-sulfonic acid Openeye Name: 4-[4-[(Z)-[(5Z)-3,6-dioxo-5-[[4-(thiophene-2-carbonylamino)phenyl]methylene]piperazin-2-ylidene]methyl]phenoxy]butane-1-sulfonic acid CAS Name: 4-[4-[(Z)-[(5Z)-3,6-dioxo-5-[[4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]methylidene]-2-piperazinylidene]methyl]phenoxy]-1-butanesulfonic acid IUPAC Name: 4-[4-[(Z)-[(5Z)-3,6-dioxo-5-[[4-(thiophene-2-carbonylamino)phenyl]methylidene]piperazin-2-ylidene]methyl]phenoxy]butane-1-sulfonic acid Traditional Name: 4-[4-[(Z)-[(5Z)-3,6-diketo-5-[4-(2-thenoylamino)benzylidene]piperazin-2-ylidene]methyl]phenoxy]butane-1-sulfonic acid Formula: C27H25N3O7S2 MolecularWeight: 567.6333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)C=C3C(=O)NC(=CC4=CC=C(C=C4)OCCCCS(=O)(=O)O)C(=O)N3

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)/C=C\3/C(=O)N/C(=C\C4=CC=C(C=C4)OCCCCS(=O)(=O)O)/C(=O)N3

InChI

InChI=1S/C27H25N3O7S2/c31-25-22(16-18-5-9-20(10-6-18)28-27(33)24-4-3-14-38-24)29-26(32)23(30-25)17-19-7-11-21(12-8-19)37-13-1-2-15-39(34,35)36/h3-12,14,16-17H,1-2,13,15H2,(H,28,33)(H,29,32)(H,30,31)(H,34,35,36)/b22-16-,23-17-