4-[3-[2-(phenylmethyl)sulfonyl-1H-isoquinolin-1-yl]-1H-indol-5-yl]morpholine

Systemtic Name: 4-[3-[2-(phenylmethyl)sulfonyl-1H-isoquinolin-1-yl]-1H-indol-5-yl]morpholine Openeye Name: 4-[3-(2-benzylsulfonyl-1H-isoquinolin-1-yl)-1H-indol-5-yl]morpholine CAS Name: 4-[3-[2-(phenylmethyl)sulfonyl-1H-isoquinolin-1-yl]-1H-indol-5-yl]morpholine IUPAC Name: 4-[3-(2-benzylsulfonyl-1H-isoquinolin-1-yl)-1H-indol-5-yl]morpholine Traditional Name: 4-[3-(2-benzylsulfonyl-1H-isoquinolin-1-yl)-1H-indol-5-yl]morpholine Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)NC=C3C4C5=CC=CC=C5C=CN4S(=O)(=O)CC6=CC=CC=C6

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)NC=C3C4C5=CC=CC=C5C=CN4S(=O)(=O)CC6=CC=CC=C6

InChI

InChI=1S/C28H27N3O3S/c32-35(33,20-21-6-2-1-3-7-21)31-13-12-22-8-4-5-9-24(22)28(31)26-19-29-27-11-10-23(18-25(26)27)30-14-16-34-17-15-30/h1-13,18-19,28-29H,14-17,20H2