N-[2-(cyclohexen-1-yl)-1-pyrrolidin-2-yl-ethyl]-5-(cyclopropylmethylsulfonyl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide; methanesulfonate

Systemtic Name: N-[2-(cyclohexen-1-yl)-1-pyrrolidin-2-yl-ethyl]-5-(cyclopropylmethylsulfonyl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide; methanesulfonate Openeye Name: N-[2-(cyclohexen-1-yl)-1-pyrrolidin-2-yl-ethyl]-5-(cyclopropylmethylsulfonyl)-2-methyl-2,3-dihydrobenzofuran-7-carboxamide; methanesulfonate CAS Name: N-[2-(1-cyclohexenyl)-1-(2-pyrrolidinyl)ethyl]-5-(cyclopropylmethylsulfonyl)-2-methyl-2,3-dihydrobenzofuran-7-carboxamide; methanesulfonate IUPAC Name: N-[2-(cyclohexen-1-yl)-1-pyrrolidin-2-ylethyl]-5-(cyclopropylmethylsulfonyl)-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide; methanesulfonate Traditional Name: N-[2-(cyclohexen-1-yl)-1-pyrrolidin-2-yl-ethyl]-5-(cyclopropylmethylsulfonyl)-2-methyl-coumaran-7-carboxamide mesylate Formula: C27H39N2O7S2- MolecularWeight: 567.73776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C(=CC(=C2)S(=O)(=O)CC3CC3)C(=O)NC(CC4=CCCCC4)C5CCCN5.CS(=O)(=O)[O-]

Isomeric SMILES

CC1CC2=C(O1)C(=CC(=C2)S(=O)(=O)CC3CC3)C(=O)NC(CC4=CCCCC4)C5CCCN5.CS(=O)(=O)[O-]

InChI

InChI=1S/C26H36N2O4S.CH4O3S/c1-17-12-20-14-21(33(30,31)16-19-9-10-19)15-22(25(20)32-17)26(29)28-24(23-8-5-11-27-23)13-18-6-3-2-4-7-18;1-5(2,3)4/h6,14-15,17,19,23-24,27H,2-5,7-13,16H2,1H3,(H,28,29);1H3,(H,2,3,4)/p-1