2-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-pyrrolidin-1-yl-naphthalene-1,4-dione

Systemtic Name: 2-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-pyrrolidin-1-yl-naphthalene-1,4-dione Openeye Name: 2-[(3,5-dimethyl-1-piperidyl)sulfonyl]-3-pyrrolidin-1-yl-naphthalene-1,4-dione CAS Name: 2-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-3-(1-pyrrolidinyl)naphthalene-1,4-dione IUPAC Name: 2-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-pyrrolidin-1-ylnaphthalene-1,4-dione Traditional Name: 2-(3,5-dimethylpiperidino)sulfonyl-3-pyrrolidino-1,4-naphthoquinone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCC4)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCC4)C

InChI

InChI=1S/C21H26N2O4S/c1-14-11-15(2)13-23(12-14)28(26,27)21-18(22-9-5-6-10-22)19(24)16-7-3-4-8-17(16)20(21)25/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3