phenothiazin-10-yl 1-cyanobutane-1-sulfonate

Systemtic Name: phenothiazin-10-yl 1-cyanobutane-1-sulfonate Openeye Name: phenothiazin-10-yl 1-cyanobutane-1-sulfonate CAS Name: 1-cyano-1-butanesulfonic acid IUPAC Name: phenothiazin-10-yl 1-cyanobutane-1-sulfonate Traditional Name: 1-cyanobutane-1-sulfonic acid phenothiazin-10-yl ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)S(=O)(=O)ON1C2=CC=CC=C2SC3=CC=CC=C31

Isomeric SMILES

CCCC(C#N)S(=O)(=O)ON1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C17H16N2O3S2/c1-2-7-13(12-18)24(20,21)22-19-14-8-3-5-10-16(14)23-17-11-6-4-9-15(17)19/h3-6,8-11,13H,2,7H2,1H3