2-[5-(azepan-1-ylsulfonyl)-3,3-dimethyl-2H-indol-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)-3,3-dimethyl-2H-indol-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-3,3-dimethyl-indolin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[5-(1-azepanylsulfonyl)-3,3-dimethyl-2H-indol-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-3,3-dimethyl-2H-indol-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-3,3-dimethyl-indolin-1-yl]-1-pyrrolidino-ethanone Formula: C22H33N3O3S MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)CC(=O)N4CCCC4)C

Isomeric SMILES

CC1(CN(C2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)CC(=O)N4CCCC4)C

InChI

InChI=1S/C22H33N3O3S/c1-22(2)17-24(16-21(26)23-11-7-8-12-23)20-10-9-18(15-19(20)22)29(27,28)25-13-5-3-4-6-14-25/h9-10,15H,3-8,11-14,16-17H2,1-2H3