5-(4-methylpiperidin-1-yl)sulfonyl-1-[[phenethyl-(phenylmethyl)amino]methyl]indole-2,3-dione

Systemtic Name: 5-(4-methylpiperidin-1-yl)sulfonyl-1-[[phenethyl-(phenylmethyl)amino]methyl]indole-2,3-dione Openeye Name: 1-[[benzyl(phenethyl)amino]methyl]-5-[(4-methyl-1-piperidyl)sulfonyl]indoline-2,3-dione CAS Name: 5-[(4-methyl-1-piperidinyl)sulfonyl]-1-[[phenethyl-(phenylmethyl)amino]methyl]indole-2,3-dione IUPAC Name: 1-[[benzyl(phenethyl)amino]methyl]-5-(4-methylpiperidin-1-yl)sulfonylindole-2,3-dione Traditional Name: 1-[[benzyl(phenethyl)amino]methyl]-5-(4-methylpiperidino)sulfonyl-isatin Formula: C30H33N3O4S MolecularWeight: 531.66572

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CN(CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CN(CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H33N3O4S/c1-23-14-18-32(19-15-23)38(36,37)26-12-13-28-27(20-26)29(34)30(35)33(28)22-31(21-25-10-6-3-7-11-25)17-16-24-8-4-2-5-9-24/h2-13,20,23H,14-19,21-22H2,1H3