N,N-diethyl-3-nitro-4-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[(2-pyrrolidin-1-yl-4-pyridyl)methylamino]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[[2-(1-pyrrolidinyl)-4-pyridinyl]methylamino]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[(2-pyrrolidino-4-pyridyl)methylamino]benzenesulfonamide Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=NC=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=NC=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O4S/c1-3-24(4-2)30(28,29)17-7-8-18(19(14-17)25(26)27)22-15-16-9-10-21-20(13-16)23-11-5-6-12-23/h7-10,13-14,22H,3-6,11-12,15H2,1-2H3