2-methyl-5-nitro-N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[2-[4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[2-(4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[2-(4-pyrrolidinopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]benzenesulfonamide Formula: C18H21N7O4S MolecularWeight: 431.46884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCN2C3=C(C=N2)C(=NC=N3)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCN2C3=C(C=N2)C(=NC=N3)N4CCCC4

InChI

InChI=1S/C18H21N7O4S/c1-13-4-5-14(25(26)27)10-16(13)30(28,29)22-6-9-24-18-15(11-21-24)17(19-12-20-18)23-7-2-3-8-23/h4-5,10-12,22H,2-3,6-9H2,1H3