2-[1-(aminomethyl)cyclohexyl]ethanoic acid; 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide

Systemtic Name: 2-[1-(aminomethyl)cyclohexyl]ethanoic acid; 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide Openeye Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid; 4-(5-methyl-3-phenyl-isoxazol-4-yl)benzenesulfonamide CAS Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid; 4-(5-methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide IUPAC Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid; 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide Traditional Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid; 4-(5-methyl-3-phenyl-isoxazol-4-yl)benzenesulfonamide Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N.C1CCC(CC1)(CC(=O)O)CN

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N.C1CCC(CC1)(CC(=O)O)CN

InChI

InChI=1S/C16H14N2O3S.C9H17NO2/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13;10-7-9(6-8(11)12)4-2-1-3-5-9/h2-10H,1H3,(H2,17,19,20);1-7,10H2,(H,11,12)