2-nitro-N-prop-2-ynyl-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: 2-nitro-N-prop-2-ynyl-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: 2-nitro-N-prop-2-ynyl-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: 2-nitro-N-prop-2-ynyl-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: 2-nitro-N-prop-2-ynyl-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (2-nitro-4-pyrrolidinosulfonyl-phenyl)-propargyl-amine Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

C#CCNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4S/c1-2-7-14-12-6-5-11(10-13(12)16(17)18)21(19,20)15-8-3-4-9-15/h1,5-6,10,14H,3-4,7-9H2