5-chloranyl-3-methyl-N-[2-[[[(1R)-1-phenylethyl]amino]methyl]-3,4-dihydro-2H-chromen-7-yl]-1-benzothiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-3-methyl-N-[2-[[[(1R)-1-phenylethyl]amino]methyl]-3,4-dihydro-2H-chromen-7-yl]-1-benzothiophene-2-sulfonamide Openeye Name: 5-chloro-3-methyl-N-[2-[[[(1R)-1-phenylethyl]amino]methyl]chroman-7-yl]benzothiophene-2-sulfonamide CAS Name: 5-chloro-3-methyl-N-[2-[[[(1R)-1-phenylethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-7-yl]-1-benzothiophene-2-sulfonamide IUPAC Name: 5-chloro-3-methyl-N-[2-[[[(1R)-1-phenylethyl]amino]methyl]-3,4-dihydro-2H-chromen-7-yl]-1-benzothiophene-2-sulfonamide Traditional Name: 5-chloro-3-methyl-N-[2-[[[(1R)-1-phenylethyl]amino]methyl]chroman-7-yl]benzothiophene-2-sulfonamide Formula: C27H27ClN2O3S2 MolecularWeight: 527.09788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC4=C(CCC(O4)CNC(C)C5=CC=CC=C5)C=C3

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC4=C(CCC(O4)CN[C@H](C)C5=CC=CC=C5)C=C3

InChI

InChI=1S/C27H27ClN2O3S2/c1-17-24-14-21(28)10-13-26(24)34-27(17)35(31,32)30-22-11-8-20-9-12-23(33-25(20)15-22)16-29-18(2)19-6-4-3-5-7-19/h3-8,10-11,13-15,18,23,29-30H,9,12,16H2,1-2H3/t18-,23?/m1/s1