3-nitro-N-propan-2-yl-4-(prop-2-ynylamino)benzenesulfonamide

Systemtic Name: 3-nitro-N-propan-2-yl-4-(prop-2-ynylamino)benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-(prop-2-ynylamino)benzenesulfonamide CAS Name: 3-nitro-N-propan-2-yl-4-(prop-2-ynylamino)benzenesulfonamide IUPAC Name: 3-nitro-N-propan-2-yl-4-(prop-2-ynylamino)benzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-(propargylamino)benzenesulfonamide Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC#C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC#C)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O4S/c1-4-7-13-11-6-5-10(8-12(11)15(16)17)20(18,19)14-9(2)3/h1,5-6,8-9,13-14H,7H2,2-3H3