[2-(6-bromanyl-2-methyl-1H-indol-3-yl)ethanoyl-methyl-amino] 4-nitrobenzenesulfonate

Systemtic Name: [2-(6-bromanyl-2-methyl-1H-indol-3-yl)ethanoyl-methyl-amino] 4-nitrobenzenesulfonate Openeye Name: [[2-(6-bromo-2-methyl-1H-indol-3-yl)acetyl]-methyl-amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [[2-(6-bromo-2-methyl-1H-indol-3-yl)-1-oxoethyl]-methylamino] ester IUPAC Name: [[2-(6-bromo-2-methyl-1H-indol-3-yl)acetyl]-methylamino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [[2-(6-bromo-2-methyl-1H-indol-3-yl)acetyl]-methyl-amino] ester Formula: C18H16BrN3O6S MolecularWeight: 482.30514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=C(C=C2)Br)CC(=O)N(C)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(N1)C=C(C=C2)Br)CC(=O)N(C)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16BrN3O6S/c1-11-16(15-8-3-12(19)9-17(15)20-11)10-18(23)21(2)28-29(26,27)14-6-4-13(5-7-14)22(24)25/h3-9,20H,10H2,1-2H3