methanesulfonic acid; N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxamide; hydrate

Systemtic Name: methanesulfonic acid; N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxamide; hydrate Openeye Name: methanesulfonic acid; N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenyl-chromene-8-carboxamide; hydrate CAS Name: methanesulfonic acid; N-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxamide; hydrate IUPAC Name: methanesulfonic acid; N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide; hydrate Traditional Name: 4-keto-N-[3-[4-(2-methoxyphenyl)piperazino]propyl]-3-methyl-2-phenyl-chromene-8-carboxamide; mesylic acid; hydrate Formula: C32H39N3O8S MolecularWeight: 625.73236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5.CS(=O)(=O)O.O

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5.CS(=O)(=O)O.O

InChI

InChI=1S/C31H33N3O4.CH4O3S.H2O/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2;1-5(2,3)4;/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36);1H3,(H,2,3,4);1H2