2-[3,3-dimethyl-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-2H-indol-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[3,3-dimethyl-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-2H-indol-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[5-[(4-benzyl-1-piperidyl)sulfonyl]-3,3-dimethyl-indolin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[3,3-dimethyl-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-2H-indol-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[5-(4-benzylpiperidin-1-yl)sulfonyl-3,3-dimethyl-2H-indol-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[5-(4-benzylpiperidino)sulfonyl-3,3-dimethyl-indolin-1-yl]-1-pyrrolidino-ethanone Formula: C28H37N3O3S MolecularWeight: 495.67668

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C1C=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)CC(=O)N5CCCC5)C

Isomeric SMILES

CC1(CN(C2=C1C=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)CC(=O)N5CCCC5)C

InChI

InChI=1S/C28H37N3O3S/c1-28(2)21-30(20-27(32)29-14-6-7-15-29)26-11-10-24(19-25(26)28)35(33,34)31-16-12-23(13-17-31)18-22-8-4-3-5-9-22/h3-5,8-11,19,23H,6-7,12-18,20-21H2,1-2H3