2-nitro-4-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)aniline

Systemtic Name: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)aniline Openeye Name: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[2-(8-quinolyl)ethyl]aniline CAS Name: 2-nitro-4-(1-pyrrolidinylsulfonyl)-N-[2-(8-quinolinyl)ethyl]aniline IUPAC Name: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-(2-quinolin-8-ylethyl)aniline Traditional Name: (2-nitro-4-pyrrolidinosulfonyl-phenyl)-[2-(8-quinolyl)ethyl]amine Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c26-25(27)20-15-18(30(28,29)24-13-1-2-14-24)8-9-19(20)22-12-10-17-6-3-5-16-7-4-11-23-21(16)17/h3-9,11,15,22H,1-2,10,12-14H2