4-(2-azanylethanoyl)-N-phenyl-piperidine-1-sulfonamide; 4-methylbenzenesulfonic acid

Systemtic Name: 4-(2-azanylethanoyl)-N-phenyl-piperidine-1-sulfonamide; 4-methylbenzenesulfonic acid Openeye Name: 4-(2-aminoacetyl)-N-phenyl-piperidine-1-sulfonamide; 4-methylbenzenesulfonic acid CAS Name: 4-(2-amino-1-oxoethyl)-N-phenyl-1-piperidinesulfonamide; 4-methylbenzenesulfonic acid IUPAC Name: 4-(2-aminoacetyl)-N-phenylpiperidine-1-sulfonamide; 4-methylbenzenesulfonic acid Traditional Name: 4-glycyl-N-phenyl-piperidine-1-sulfonamide; tosylic acid Formula: C20H27N3O6S2 MolecularWeight: 469.57488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCC1C(=O)CN)S(=O)(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCC1C(=O)CN)S(=O)(=O)NC2=CC=CC=C2

InChI

InChI=1S/C13H19N3O3S.C7H8O3S/c14-10-13(17)11-6-8-16(9-7-11)20(18,19)15-12-4-2-1-3-5-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,11,15H,6-10,14H2;2-5H,1H3,(H,8,9,10)