6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1-[(3-iodanylphenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole

Systemtic Name: 6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1-[(3-iodanylphenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole Openeye Name: 6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1-[(3-iodophenyl)methylsulfonyl]-5-methoxy-indoline CAS Name: 6-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-1-[(3-iodophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole IUPAC Name: 6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1-[(3-iodophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole Traditional Name: 6-[(3S,5R)-3,5-dimethylpiperazino]-1-(3-iodobenzyl)sulfonyl-5-methoxy-indoline Formula: C22H28IN3O3S MolecularWeight: 541.44549

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=C3CCN(C3=C2)S(=O)(=O)CC4=CC(=CC=C4)I)OC

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=C(C=C3CCN(C3=C2)S(=O)(=O)CC4=CC(=CC=C4)I)OC

InChI

InChI=1S/C22H28IN3O3S/c1-15-12-25(13-16(2)24-15)21-11-20-18(10-22(21)29-3)7-8-26(20)30(27,28)14-17-5-4-6-19(23)9-17/h4-6,9-11,15-16,24H,7-8,12-14H2,1-3H3/t15-,16+