[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [4-[methyl(p-tolylsulfonyl)amino]phenyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] ester IUPAC Name: [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [4-[methyl(tosyl)amino]phenyl] ester Formula: C29H26N2O4S2 MolecularWeight: 530.65774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C29H26N2O4S2/c1-21-11-17-24(18-12-21)37(33,34)30(2)22-13-15-23(16-14-22)35-29(32)19-20-31-25-7-3-5-9-27(25)36-28-10-6-4-8-26(28)31/h3-18H,19-20H2,1-2H3