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

Systemtic Name: methanesulfonic acid; N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-4-oxidanylidene-2-phenyl-chromene-8-sulfonamide Openeye Name: methanesulfonic acid; N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-4-oxo-2-phenyl-chromene-8-sulfonamide CAS Name: methanesulfonic acid; N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-3-methyl-4-oxo-2-phenyl-1-benzopyran-8-sulfonamide IUPAC Name: methanesulfonic acid; N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-4-oxo-2-phenylchromene-8-sulfonamide Traditional Name: 4-keto-N-[4-[4-(2-methoxyphenyl)piperazino]butyl]-3-methyl-2-phenyl-chromene-8-sulfonamide; mesylic acid Formula: C33H43N3O11S3 MolecularWeight: 753.90302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2S(=O)(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2S(=O)(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C31H35N3O5S.2CH4O3S/c1-23-29(35)25-13-10-16-28(31(25)39-30(23)24-11-4-3-5-12-24)40(36,37)32-17-8-9-18-33-19-21-34(22-20-33)26-14-6-7-15-27(26)38-2;2*1-5(2,3)4/h3-7,10-16,32H,8-9,17-22H2,1-2H3;2*1H3,(H,2,3,4)