3-azanyl-4-methyl-5-methylsulfonyl-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 3-azanyl-4-methyl-5-methylsulfonyl-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 3-amino-1-benzyl-4-methyl-5-methylsulfonyl-indole-2-carboxylic acid CAS Name: 3-amino-4-methyl-5-methylsulfonyl-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 3-amino-1-benzyl-4-methyl-5-methylsulfonylindole-2-carboxylic acid Traditional Name: 3-amino-1-benzyl-5-mesyl-4-methyl-indole-2-carboxylic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=C(N2CC3=CC=CC=C3)C(=O)O)N)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=C(N2CC3=CC=CC=C3)C(=O)O)N)S(=O)(=O)C

InChI

InChI=1S/C18H18N2O4S/c1-11-14(25(2,23)24)9-8-13-15(11)16(19)17(18(21)22)20(13)10-12-6-4-3-5-7-12/h3-9H,10,19H2,1-2H3,(H,21,22)