N-(4-methylcyclohexyl)-3-nitro-4-(prop-2-ynylamino)benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-3-nitro-4-(prop-2-ynylamino)benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-3-nitro-4-(prop-2-ynylamino)benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-3-nitro-4-(prop-2-ynylamino)benzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-3-nitro-4-(prop-2-ynylamino)benzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-3-nitro-4-(propargylamino)benzenesulfonamide Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC#C)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC#C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O4S/c1-3-10-17-15-9-8-14(11-16(15)19(20)21)24(22,23)18-13-6-4-12(2)5-7-13/h1,8-9,11-13,17-18H,4-7,10H2,2H3