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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N(C(=C2S(=O)(=O)C)C(=O)O)CC3=CC=CC=C3)N

Isomeric SMILES

CC1=C(C2=C(C=C1)N(C(=C2S(=O)(=O)C)C(=O)O)CC3=CC=CC=C3)N

InChI

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