N-(4-nitrophenyl)-5-piperidin-1-ylsulfonyl-isoquinolin-3-amine

Systemtic Name: N-(4-nitrophenyl)-5-piperidin-1-ylsulfonyl-isoquinolin-3-amine Openeye Name: N-(4-nitrophenyl)-5-(1-piperidylsulfonyl)isoquinolin-3-amine CAS Name: N-(4-nitrophenyl)-5-(1-piperidinylsulfonyl)-3-isoquinolinamine IUPAC Name: N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylisoquinolin-3-amine Traditional Name: (4-nitrophenyl)-(5-piperidinosulfonyl-3-isoquinolyl)amine Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC3=CN=C(C=C32)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC3=CN=C(C=C32)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c25-24(26)17-9-7-16(8-10-17)22-20-13-18-15(14-21-20)5-4-6-19(18)29(27,28)23-11-2-1-3-12-23/h4-10,13-14H,1-3,11-12H2,(H,21,22)