3-nitro-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 3-nitro-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 3-nitro-2-[[4-(1-piperidylsulfonyl)phenyl]methylamino]pyrido[1,2-a]pyrimidin-4-one CAS Name: 3-nitro-2-[[4-(1-piperidinylsulfonyl)phenyl]methylamino]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 3-nitro-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 3-nitro-2-[(4-piperidinosulfonylbenzyl)amino]pyrido[1,2-a]pyrimidin-4-one Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC3=C(C(=O)N4C=CC=CC4=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S/c26-20-18(25(27)28)19(22-17-6-2-5-13-24(17)20)21-14-15-7-9-16(10-8-15)31(29,30)23-11-3-1-4-12-23/h2,5-10,13,21H,1,3-4,11-12,14H2