2-[(5R)-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoic acid

Systemtic Name: 2-[(5R)-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoic acid Openeye Name: 2-[(5R)-1-(p-tolylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid CAS Name: 2-[(5R)-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid IUPAC Name: 2-[(5R)-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid Traditional Name: 2-[(5R)-1-tosyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C3=CC=CC=C32)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C3=CC=CC=C32)CC(=O)O

InChI

InChI=1S/C19H21NO4S/c1-14-8-10-16(11-9-14)25(23,24)20-12-4-5-15(13-19(21)22)17-6-2-3-7-18(17)20/h2-3,6-11,15H,4-5,12-13H2,1H3,(H,21,22)/t15-/m1/s1