4-(1H-indol-5-yl)-2,2-dimethyl-3-(phenylsulfonyl)thiomorpholine-3-carboxylic acid

Systemtic Name: 4-(1H-indol-5-yl)-2,2-dimethyl-3-(phenylsulfonyl)thiomorpholine-3-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-4-(1H-indol-5-yl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 3-(benzenesulfonyl)-4-(1H-indol-5-yl)-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 3-(benzenesulfonyl)-4-(1H-indol-5-yl)-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 3-besyl-4-(1H-indol-5-yl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)C2=CC3=C(C=C2)NC=C3)(C(=O)O)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N(CCS1)C2=CC3=C(C=C2)NC=C3)(C(=O)O)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H22N2O4S2/c1-20(2)21(19(24)25,29(26,27)17-6-4-3-5-7-17)23(12-13-28-20)16-8-9-18-15(14-16)10-11-22-18/h3-11,14,22H,12-13H2,1-2H3,(H,24,25)