2-(6-chloranyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-2-(phenylsulfonyl)propanoic acid

Systemtic Name: 2-(6-chloranyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-2-(phenylsulfonyl)propanoic acid Openeye Name: 2-(benzenesulfonyl)-2-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanoic acid CAS Name: 2-(benzenesulfonyl)-2-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanoic acid IUPAC Name: 2-(benzenesulfonyl)-2-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanoic acid Traditional Name: 2-besyl-2-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)propionic acid Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2=C(C1)NC3=C2C=C(C=C3)Cl)(C(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C1CCC2=C(C1)NC3=C2C=C(C=C3)Cl)(C(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClNO4S/c1-21(20(24)25,28(26,27)15-5-3-2-4-6-15)13-7-9-16-17-12-14(22)8-10-18(17)23-19(16)11-13/h2-6,8,10,12-13,23H,7,9,11H2,1H3,(H,24,25)