2-azanyl-N-(3-ethanoylphenyl)-4-phenyl-butane-1-sulfonamide; 4-methylbenzenesulfonic acid

Systemtic Name: 2-azanyl-N-(3-ethanoylphenyl)-4-phenyl-butane-1-sulfonamide; 4-methylbenzenesulfonic acid Openeye Name: N-(3-acetylphenyl)-2-amino-4-phenyl-butane-1-sulfonamide; 4-methylbenzenesulfonic acid CAS Name: N-(3-acetylphenyl)-2-amino-4-phenyl-1-butanesulfonamide; 4-methylbenzenesulfonic acid IUPAC Name: N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide; 4-methylbenzenesulfonic acid Traditional Name: N-(3-acetylphenyl)-2-amino-4-phenyl-butane-1-sulfonamide; tosylic acid Formula: C25H30N2O6S2 MolecularWeight: 518.6455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)C1=CC(=CC=C1)NS(=O)(=O)CC(CCC2=CC=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)C1=CC(=CC=C1)NS(=O)(=O)CC(CCC2=CC=CC=C2)N

InChI

InChI=1S/C18H22N2O3S.C7H8O3S/c1-14(21)16-8-5-9-18(12-16)20-24(22,23)13-17(19)11-10-15-6-3-2-4-7-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-9,12,17,20H,10-11,13,19H2,1H3;2-5H,1H3,(H,8,9,10)