[2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-4-oxidanylidene-chromen-3-yl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-4-oxidanylidene-chromen-3-yl] 4-acetamidobenzenesulfonate Openeye Name: [2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-4-oxo-chromen-3-yl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]phenyl]-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-4-oxochromen-3-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [4-keto-2-[4-[4-(2-methoxyphenyl)piperazino]phenyl]chromen-3-yl] ester Formula: C34H31N3O7S MolecularWeight: 625.69084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)N5CCN(CC5)C6=CC=CC=C6OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC3=CC=CC=C3C2=O)C4=CC=C(C=C4)N5CCN(CC5)C6=CC=CC=C6OC

InChI

InChI=1S/C34H31N3O7S/c1-23(38)35-25-13-17-27(18-14-25)45(40,41)44-34-32(39)28-7-3-5-9-30(28)43-33(34)24-11-15-26(16-12-24)36-19-21-37(22-20-36)29-8-4-6-10-31(29)42-2/h3-18H,19-22H2,1-2H3,(H,35,38)