2-[(5-bromanylthiophen-2-yl)sulfonylamino]-3-(4-methyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)sulfonylamino]-3-(4-methyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[(5-bromo-2-thienyl)sulfonylamino]-3-(4-methyl-1H-indol-3-yl)propanoic acid CAS Name: 2-[(5-bromo-2-thiophenyl)sulfonylamino]-3-(4-methyl-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(5-bromothiophen-2-yl)sulfonylamino]-3-(4-methyl-1H-indol-3-yl)propanoic acid Traditional Name: 2-[(5-bromo-2-thienyl)sulfonylamino]-3-(4-methyl-1H-indol-3-yl)propionic acid Formula: C16H15BrN2O4S2 MolecularWeight: 443.3353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC=C2CC(C(=O)O)NS(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=C2C(=CC=C1)NC=C2CC(C(=O)O)NS(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H15BrN2O4S2/c1-9-3-2-4-11-15(9)10(8-18-11)7-12(16(20)21)19-25(22,23)14-6-5-13(17)24-14/h2-6,8,12,18-19H,7H2,1H3,(H,20,21)