3-methylsulfonyl-4-(3-phenylpropylamino)benzoic acid

Systemtic Name: 3-methylsulfonyl-4-(3-phenylpropylamino)benzoic acid Openeye Name: 3-methylsulfonyl-4-(3-phenylpropylamino)benzoic acid CAS Name: 3-methylsulfonyl-4-(3-phenylpropylamino)benzoic acid IUPAC Name: 3-methylsulfonyl-4-(3-phenylpropylamino)benzoic acid Traditional Name: 3-mesyl-4-(3-phenylpropylamino)benzoic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)NCCCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C17H19NO4S/c1-23(21,22)16-12-14(17(19)20)9-10-15(16)18-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12,18H,5,8,11H2,1H3,(H,19,20)