2-methylsulfonylethyl N-[2-[3,6-bis(2,3-dihydroindol-1-yl)-9H-xanthen-9-yl]phenyl]sulfonyl-N-methyl-carbamate

Systemtic Name: 2-methylsulfonylethyl N-[2-[3,6-bis(2,3-dihydroindol-1-yl)-9H-xanthen-9-yl]phenyl]sulfonyl-N-methyl-carbamate Openeye Name: 2-methylsulfonylethyl N-[2-[3,6-di(indolin-1-yl)-9H-xanthen-9-yl]phenyl]sulfonyl-N-methyl-carbamate CAS Name: N-[2-[3,6-bis(2,3-dihydroindol-1-yl)-9H-xanthen-9-yl]phenyl]sulfonyl-N-methylcarbamic acid 2-methylsulfonylethyl ester IUPAC Name: 2-methylsulfonylethyl N-[2-[3,6-bis(2,3-dihydroindol-1-yl)-9H-xanthen-9-yl]phenyl]sulfonyl-N-methylcarbamate Traditional Name: N-[2-[3,6-di(indolin-1-yl)-9H-xanthen-9-yl]phenyl]sulfonyl-N-methyl-carbamic acid 2-mesylethyl ester Formula: C40H37N3O7S2 MolecularWeight: 735.86768

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)OCCS(=O)(=O)C)S(=O)(=O)C1=CC=CC=C1C2C3=C(C=C(C=C3)N4CCC5=CC=CC=C54)OC6=C2C=CC(=C6)N7CCC8=CC=CC=C87

Isomeric SMILES

CN(C(=O)OCCS(=O)(=O)C)S(=O)(=O)C1=CC=CC=C1C2C3=C(C=C(C=C3)N4CCC5=CC=CC=C54)OC6=C2C=CC(=C6)N7CCC8=CC=CC=C87

InChI

InChI=1S/C40H37N3O7S2/c1-41(40(44)49-23-24-51(2,45)46)52(47,48)38-14-8-5-11-33(38)39-31-17-15-29(42-21-19-27-9-3-6-12-34(27)42)25-36(31)50-37-26-30(16-18-32(37)39)43-22-20-28-10-4-7-13-35(28)43/h3-18,25-26,39H,19-24H2,1-2H3