[3-[4-[(4-phenylphenyl)carbonylamino]butyl-propyl-amino]-3,4-dihydro-2H-chromen-8-yl] methanesulfonate

Systemtic Name: [3-[4-[(4-phenylphenyl)carbonylamino]butyl-propyl-amino]-3,4-dihydro-2H-chromen-8-yl] methanesulfonate Openeye Name: [3-[4-[(4-phenylbenzoyl)amino]butyl-propyl-amino]chroman-8-yl] methanesulfonate CAS Name: methanesulfonic acid [3-[4-[[oxo-(4-phenylphenyl)methyl]amino]butyl-propylamino]-3,4-dihydro-2H-1-benzopyran-8-yl] ester IUPAC Name: [3-[4-[(4-phenylbenzoyl)amino]butyl-propylamino]-3,4-dihydro-2H-chromen-8-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-[4-[(4-phenylbenzoyl)amino]butyl-propyl-amino]chroman-8-yl] ester Formula: C30H36N2O5S MolecularWeight: 536.68224

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C3CC4=C(C(=CC=C4)OS(=O)(=O)C)OC3

Isomeric SMILES

CCCN(CCCCNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C3CC4=C(C(=CC=C4)OS(=O)(=O)C)OC3

InChI

InChI=1S/C30H36N2O5S/c1-3-19-32(27-21-26-12-9-13-28(29(26)36-22-27)37-38(2,34)35)20-8-7-18-31-30(33)25-16-14-24(15-17-25)23-10-5-4-6-11-23/h4-6,9-17,27H,3,7-8,18-22H2,1-2H3,(H,31,33)