2-nitro-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: 2-nitro-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: 2-nitro-N-(3-pyridylmethyl)-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: 2-nitro-N-(3-pyridinylmethyl)-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: 2-nitro-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (2-nitro-4-pyrrolidinosulfonyl-phenyl)-(3-pyridylmethyl)amine Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c21-20(22)16-10-14(25(23,24)19-8-1-2-9-19)5-6-15(16)18-12-13-4-3-7-17-11-13/h3-7,10-11,18H,1-2,8-9,12H2